2-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-(3-cyanoanilino)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-(3-cyanoanilino)-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-(3-cyanoanilino)-2-keto-ethyl]thio]benzoic acid Formula: C16H12N2O3S MolecularWeight: 312.34308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)SCC(=O)NC2=CC=CC(=C2)C#N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)SCC(=O)NC2=CC=CC(=C2)C#N

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)