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

Details

Stereochemistry ACHIRAL
Molecular Formula C13H8O3S
Molecular Weight 244.266
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL 8-OXO-8H-INDENO(2,1-B)THIOPHENE-2-CARBOXYLATE

SMILES

COC(=O)C1=CC2=C(S1)C(=O)C3=C2C=CC=C3

InChI

InChIKey=CJTMSFGZFMQLIO-UHFFFAOYSA-N
InChI=1S/C13H8O3S/c1-16-13(15)10-6-9-7-4-2-3-5-8(7)11(14)12(9)17-10/h2-6H,1H3

HIDE SMILES / InChI

Approval Year

Name Type Language
NSC-149720
Preferred Name English
METHYL 8-OXO-8H-INDENO(2,1-B)THIOPHENE-2-CARBOXYLATE
Systematic Name English
8H-INDENO(2,1-B)THIOPHENE-2-CARBOXYLIC ACID, 8-OXO-, METHYL ESTER
Systematic Name English
Code System Code Type Description
FDA UNII
5Q693R9MON
Created by admin on Tue Apr 01 20:02:51 GMT 2025 , Edited by admin on Tue Apr 01 20:02:51 GMT 2025
PRIMARY
CAS
13132-10-0
Created by admin on Tue Apr 01 20:02:51 GMT 2025 , Edited by admin on Tue Apr 01 20:02:51 GMT 2025
PRIMARY
NSC
149720
Created by admin on Tue Apr 01 20:02:51 GMT 2025 , Edited by admin on Tue Apr 01 20:02:51 GMT 2025
PRIMARY
PUBCHEM
288506
Created by admin on Tue Apr 01 20:02:51 GMT 2025 , Edited by admin on Tue Apr 01 20:02:51 GMT 2025
PRIMARY
EPA CompTox
DTXSID40156999
Created by admin on Tue Apr 01 20:02:51 GMT 2025 , Edited by admin on Tue Apr 01 20:02:51 GMT 2025
PRIMARY