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Details

Stereochemistry ACHIRAL
Molecular Formula C16H18ClNO3S2
Molecular Weight 371.902
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-Methylethyl 2-chloro-5-[[(5,6-dihydro-2-methyl-1,4-oxathiin-3-yl)thioxomethyl]amino]benzoate

SMILES

CC(C)OC(=O)C1=C(Cl)C=CC(NC(=S)C2=C(C)OCCS2)=C1

InChI

InChIKey=CZDOLCFOGDUISK-UHFFFAOYSA-N
InChI=1S/C16H18ClNO3S2/c1-9(2)21-16(19)12-8-11(4-5-13(12)17)18-15(22)14-10(3)20-6-7-23-14/h4-5,8-9H,6-7H2,1-3H3,(H,18,22)

HIDE SMILES / InChI

Molecular Formula C16H18ClNO3S2
Molecular Weight 371.902
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:43:33 GMT 2025
Edited
by admin
on Tue Apr 01 19:43:33 GMT 2025
Record UNII
R8W6D6M7JW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-Methylethyl 2-chloro-5-[[(5,6-dihydro-2-methyl-1,4-oxathiin-3-yl)thioxomethyl]amino]benzoate
Systematic Name English
NSC-638521
Preferred Name English
propan-2-yl 2-chloro-5-[(6-methyl-2,3-dihydro-1,4-oxathiine-5-carbothioyl)amino]benzoate
Systematic Name English
2-Chloro-5-((1-(2-methyl-5,6-dihydro-1,4-oxathiin-3-yl)-methanethioyl)-amino)-benzoic acid, isopropyl ester
Common Name English
Benzoic acid, 2-chloro-5-(((5,6-dihydro-2-methyl-1,4-oxathiin-3-yl)thioxomethyl)amino)-, 1-methylethyl ester
Systematic Name English
UC-23
Code English
Code System Code Type Description
EPA CompTox
DTXSID50167591
Created by admin on Tue Apr 01 19:43:33 GMT 2025 , Edited by admin on Tue Apr 01 19:43:33 GMT 2025
PRIMARY
CAS
163464-34-4
Created by admin on Tue Apr 01 19:43:33 GMT 2025 , Edited by admin on Tue Apr 01 19:43:33 GMT 2025
PRIMARY
PUBCHEM
3001024
Created by admin on Tue Apr 01 19:43:33 GMT 2025 , Edited by admin on Tue Apr 01 19:43:33 GMT 2025
PRIMARY
NSC
638521
Created by admin on Tue Apr 01 19:43:33 GMT 2025 , Edited by admin on Tue Apr 01 19:43:33 GMT 2025
PRIMARY
FDA UNII
R8W6D6M7JW
Created by admin on Tue Apr 01 19:43:33 GMT 2025 , Edited by admin on Tue Apr 01 19:43:33 GMT 2025
PRIMARY