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Details

Stereochemistry ACHIRAL
Molecular Formula C16H14N2O3S3
Molecular Weight 378.489
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of (5-(2-(3-ETHYL-3H-BENZOTHIAZOL-2-YLIDENE)ETHYLIDENE)-4-OXO-2-THIOXOTHIAZOLIDIN-3-YL)ACETIC ACID

SMILES

CCN1\C(SC2=CC=CC=C12)=C/C=C3\SC(=S)N(CC(O)=O)C3=O

InChI

InChIKey=NVXMOCINNAPHSD-HAKHBUOSSA-N
InChI=1S/C16H14N2O3S3/c1-2-17-10-5-3-4-6-11(10)23-13(17)8-7-12-15(21)18(9-14(19)20)16(22)24-12/h3-8H,2,9H2,1H3,(H,19,20)/b12-7-,13-8+

HIDE SMILES / InChI

Molecular Formula C16H14N2O3S3
Molecular Weight 378.489
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 2
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:03:27 GMT 2023
Edited
by admin
on Sat Dec 16 12:03:27 GMT 2023
Record UNII
9Z6I733XFL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(5-(2-(3-ETHYL-3H-BENZOTHIAZOL-2-YLIDENE)ETHYLIDENE)-4-OXO-2-THIOXOTHIAZOLIDIN-3-YL)ACETIC ACID
Systematic Name English
3-CARBOXYMETHYL-5-(.BETA.-(3-ETHYL-2(3H)-BENZOTHIAZOLYLIDENE)ETHYLIDENE)RHODANINE
Systematic Name English
NK-2045
Code English
3-THIAZOLIDINEACETIC ACID, 5-((3-ETHYL-2(3H)-BENZOTHIAZOLYLIDENE)ETHYLIDENE)-4-OXO-2-THIOXO-
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
247-373-8
Created by admin on Sat Dec 16 12:03:27 GMT 2023 , Edited by admin on Sat Dec 16 12:03:27 GMT 2023
PRIMARY
EPA CompTox
DTXSID7067162
Created by admin on Sat Dec 16 12:03:27 GMT 2023 , Edited by admin on Sat Dec 16 12:03:27 GMT 2023
PRIMARY
FDA UNII
9Z6I733XFL
Created by admin on Sat Dec 16 12:03:27 GMT 2023 , Edited by admin on Sat Dec 16 12:03:27 GMT 2023
PRIMARY
PUBCHEM
6438046
Created by admin on Sat Dec 16 12:03:27 GMT 2023 , Edited by admin on Sat Dec 16 12:03:27 GMT 2023
PRIMARY
CAS
25962-03-2
Created by admin on Sat Dec 16 12:03:27 GMT 2023 , Edited by admin on Sat Dec 16 12:03:27 GMT 2023
PRIMARY