2-[[2-[(3-Cyanophenyl)amino]-2-oxoethyl]thio]benzoic acid

CAS Registry Number®

850020-92-7

CAS Name

2-[[2-[(3-Cyanophenyl)amino]-2-oxoethyl]thio]benzoic acid

Molecular Formula

C16H12N2O3S

Molecular Mass

312.34

Cite this Page

2-[[2-[(3-Cyanophenyl)amino]-2-oxoethyl]thio]benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=850020-92-7 (retrieved 2024-11-26) (CAS RN: 850020-92-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H12N2O3S/c17-9-11-4-3-5-12(8-11)18-15(19)10-22-14-7-2-1-6-13(14)16(20)21/h1-8H,10H2,(H,18,19)(H,20,21)

InChIKey

InChIKey=VJDITWKEMWCZTC-UHFFFAOYSA-N

SMILES

S(CC(NC1=CC(C#N)=CC=C1)=O)C2=C(C(O)=O)C=CC=C2

Canonical SMILES

N#CC1=CC=CC(=C1)NC(=O)CSC=2C=CC=CC2C(=O)O

Other Names for this Substance

  • Benzoic acid, 2-[[2-[(3-cyanophenyl)amino]-2-oxoethyl]thio]-
  • 2-[[2-[(3-Cyanophenyl)amino]-2-oxoethyl]thio]benzoic acid

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