methyl 5-cyano-2-oxidanylidene-4-phenyl-6-(phenylmethylsulfanyl)-3,4-dihydro-1H-pyridine-3-carboxylate

Systemtic Name: methyl 5-cyano-2-oxidanylidene-4-phenyl-6-(phenylmethylsulfanyl)-3,4-dihydro-1H-pyridine-3-carboxylate Openeye Name: methyl 6-benzylsulfanyl-5-cyano-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-3-carboxylate CAS Name: 5-cyano-2-oxo-4-phenyl-6-(phenylmethylthio)-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 6-benzylsulfanyl-5-cyano-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-3-carboxylate Traditional Name: 6-(benzylthio)-5-cyano-2-keto-4-phenyl-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester Formula: C21H18N2O3S MolecularWeight: 378.44422

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C(=C(NC1=O)SCC2=CC=CC=C2)C#N)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1C(C(=C(NC1=O)SCC2=CC=CC=C2)C#N)C3=CC=CC=C3

InChI

InChI=1S/C21H18N2O3S/c1-26-21(25)18-17(15-10-6-3-7-11-15)16(12-22)20(23-19(18)24)27-13-14-8-4-2-5-9-14/h2-11,17-18H,13H2,1H3,(H,23,24)