[2-oxidanylidene-2-[(4-phenylphenyl)amino]ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(4-phenylphenyl)amino]ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate Openeye Name: [2-oxo-2-(4-phenylanilino)ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate CAS Name: 3-cyano-6-cyclopropyl-2-(methylthio)-4-pyridinecarboxylic acid [2-oxo-2-(4-phenylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylanilino)ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate Traditional Name: 3-cyano-6-cyclopropyl-2-(methylthio)isonicotinic acid [2-keto-2-(4-phenylanilino)ethyl] ester Formula: C25H21N3O3S MolecularWeight: 443.51754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=CC(=N1)C2CC2)C(=O)OCC(=O)NC3=CC=C(C=C3)C4=CC=CC=C4)C#N

Isomeric SMILES

CSC1=C(C(=CC(=N1)C2CC2)C(=O)OCC(=O)NC3=CC=C(C=C3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C25H21N3O3S/c1-32-24-21(14-26)20(13-22(28-24)18-7-8-18)25(30)31-15-23(29)27-19-11-9-17(10-12-19)16-5-3-2-4-6-16/h2-6,9-13,18H,7-8,15H2,1H3,(H,27,29)