methyl 5-cyano-4-(2-nitrophenyl)-2-oxidanylidene-6-prop-2-enylsulfanyl-3,4-dihydro-1H-pyridine-3-carboxylate

Systemtic Name: methyl 5-cyano-4-(2-nitrophenyl)-2-oxidanylidene-6-prop-2-enylsulfanyl-3,4-dihydro-1H-pyridine-3-carboxylate Openeye Name: methyl 6-allylsulfanyl-5-cyano-4-(2-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate CAS Name: 5-cyano-4-(2-nitrophenyl)-2-oxo-6-(prop-2-enylthio)-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 5-cyano-4-(2-nitrophenyl)-2-oxo-6-prop-2-enylsulfanyl-3,4-dihydro-1H-pyridine-3-carboxylate Traditional Name: 6-(allylthio)-5-cyano-2-keto-4-(2-nitrophenyl)-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester Formula: C17H15N3O5S MolecularWeight: 373.3831

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C(=C(NC1=O)SCC=C)C#N)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1C(C(=C(NC1=O)SCC=C)C#N)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O5S/c1-3-8-26-16-11(9-18)13(14(15(21)19-16)17(22)25-2)10-6-4-5-7-12(10)20(23)24/h3-7,13-14H,1,8H2,2H3,(H,19,21)