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

Systemtic Name: ethyl 5-cyano-4-(2-nitrophenyl)-2-oxidanylidene-6-(phenylmethylsulfanyl)-3,4-dihydro-1H-pyridine-3-carboxylate Openeye Name: ethyl 6-benzylsulfanyl-5-cyano-4-(2-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate CAS Name: 5-cyano-4-(2-nitrophenyl)-2-oxo-6-(phenylmethylthio)-3,4-dihydro-1H-pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-benzylsulfanyl-5-cyano-4-(2-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate Traditional Name: 6-(benzylthio)-5-cyano-2-keto-4-(2-nitrophenyl)-3,4-dihydro-1H-pyridine-3-carboxylic acid ethyl ester Formula: C22H19N3O5S MolecularWeight: 437.46836

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(=C(NC1=O)SCC2=CC=CC=C2)C#N)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1C(C(=C(NC1=O)SCC2=CC=CC=C2)C#N)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O5S/c1-2-30-22(27)19-18(15-10-6-7-11-17(15)25(28)29)16(12-23)21(24-20(19)26)31-13-14-8-4-3-5-9-14/h3-11,18-19H,2,13H2,1H3,(H,24,26)