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

Details

Stereochemistry ACHIRAL
Molecular Formula C16H13NO2S
Molecular Weight 283.345
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ?-Methyl-2-phenyl-5-benzothiazoleacetic acid

SMILES

CC(C(O)=O)C1=CC2=C(SC(=N2)C3=CC=CC=C3)C=C1

InChI

InChIKey=XCGOOGLJHMKVRE-UHFFFAOYSA-N
InChI=1S/C16H13NO2S/c1-10(16(18)19)12-7-8-14-13(9-12)17-15(20-14)11-5-3-2-4-6-11/h2-10H,1H3,(H,18,19)

HIDE SMILES / InChI

Molecular Formula C16H13NO2S
Molecular Weight 283.345
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:59:27 GMT 2025
Edited
by admin
on Tue Apr 01 19:59:27 GMT 2025
Record UNII
3633NN9XWR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
?-Methyl-2-phenyl-5-benzothiazoleacetic acid
Systematic Name English
NSC-302076
Preferred Name English
5-Benzothiazoleacetic acid, ?-methyl-2-phenyl-
Systematic Name English
Code System Code Type Description
FDA UNII
3633NN9XWR
Created by admin on Tue Apr 01 19:59:27 GMT 2025 , Edited by admin on Tue Apr 01 19:59:27 GMT 2025
PRIMARY
PUBCHEM
40316
Created by admin on Tue Apr 01 19:59:27 GMT 2025 , Edited by admin on Tue Apr 01 19:59:27 GMT 2025
PRIMARY
NSC
302076
Created by admin on Tue Apr 01 19:59:27 GMT 2025 , Edited by admin on Tue Apr 01 19:59:27 GMT 2025
PRIMARY
CAS
52321-65-0
Created by admin on Tue Apr 01 19:59:27 GMT 2025 , Edited by admin on Tue Apr 01 19:59:27 GMT 2025
PRIMARY