U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C8H8ClN3O4S
Molecular Weight 277.685
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of (Z)-2-(2-CHLOROACETYLAMINOTHIAZOL-4-YL)-2-METHOXYIMINOACETIC ACID

SMILES

CO\N=C(/C(O)=O)C1=CSC(NC(=O)CCl)=N1

InChI

InChIKey=JVFVSVLCXCDOPD-SDQBBNPISA-N
InChI=1S/C8H8ClN3O4S/c1-16-12-6(7(14)15)4-3-17-8(10-4)11-5(13)2-9/h3H,2H2,1H3,(H,14,15)(H,10,11,13)/b12-6-

HIDE SMILES / InChI

Molecular Formula C8H8ClN3O4S
Molecular Weight 277.685
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 18:54:27 GMT 2025
Edited
by admin
on Tue Apr 01 18:54:27 GMT 2025
Record UNII
X291RLA915
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(Z)-2-(2-CHLOROACETYLAMINOTHIAZOL-4-YL)-2-METHOXYIMINOACETIC ACID
Systematic Name English
(2Z)-(2-((CHLOROACETYL)AMINO)-1,3-THIAZOL-4-YL)(METHOXYIMINO)ACETIC ACID
Preferred Name English
(Z)-(2-(CHLOROACETAMIDO)-4-THIAZOLYL)(METHOXYIMINO)ACETIC ACID
Systematic Name English
2-((2-CHLOROACETYL)AMINO)-.ALPHA.-(METHOXYIMINO)-4-THIAZOLEACETIC ACID
Systematic Name English
4-THIAZOLEACETIC ACID, 2-((CHLOROACETYL)AMINO)-.ALPHA.-(METHOXYIMINO)-, (Z)-
Systematic Name English
4-THIAZOLEACETIC ACID, 2-((CHLOROACETYL)AMINO)-.ALPHA.-(METHOXYIMINO)-
Systematic Name English
2-(2-CHLOROACETYLAMINOTHIAZOLE-4-YL)-2-(Z)-METHOXYIMINOACETIC ACID
Systematic Name English
4-THIAZOLEACETIC ACID, 2-((CHLOROACETYL)AMINO)-.ALPHA.-(METHOXYIMINO)-, (.ALPHA.Z)-
Systematic Name English
4-THIAZOLEACETIC ACID, 2-((2-CHLOROACETYL)AMINO)-.ALPHA.-(METHOXYIMINO)-
Systematic Name English
Code System Code Type Description
PUBCHEM
5858790
Created by admin on Tue Apr 01 18:54:27 GMT 2025 , Edited by admin on Tue Apr 01 18:54:27 GMT 2025
PRIMARY
ECHA (EC/EINECS)
262-471-0
Created by admin on Tue Apr 01 18:54:27 GMT 2025 , Edited by admin on Tue Apr 01 18:54:27 GMT 2025
ALTERNATIVE
CAS
64486-18-6
Created by admin on Tue Apr 01 18:54:27 GMT 2025 , Edited by admin on Tue Apr 01 18:54:27 GMT 2025
PRIMARY
EPA CompTox
DTXSID1057791
Created by admin on Tue Apr 01 18:54:27 GMT 2025 , Edited by admin on Tue Apr 01 18:54:27 GMT 2025
PRIMARY
FDA UNII
X291RLA915
Created by admin on Tue Apr 01 18:54:27 GMT 2025 , Edited by admin on Tue Apr 01 18:54:27 GMT 2025
PRIMARY
CAS
60846-17-5
Created by admin on Tue Apr 01 18:54:27 GMT 2025 , Edited by admin on Tue Apr 01 18:54:27 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY
ECHA (EC/EINECS)
264-916-4
Created by admin on Tue Apr 01 18:54:27 GMT 2025 , Edited by admin on Tue Apr 01 18:54:27 GMT 2025
PRIMARY