[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-phenylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-phenylsulfanylpyridine-3-carboxylate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 2-phenylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylthio)-3-pyridinecarboxylic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-phenylsulfanylpyridine-3-carboxylate Traditional Name: 2-(phenylthio)nicotinic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C19H13N3O3S2 MolecularWeight: 395.45482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)OCC(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)OCC(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C19H13N3O3S2/c20-11-13-8-10-26-17(13)22-16(23)12-25-19(24)15-7-4-9-21-18(15)27-14-5-2-1-3-6-14/h1-10H,12H2,(H,22,23)