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

Systemtic Name: methyl 6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-cyano-4-(2-nitrophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridine-3-carboxylate Openeye Name: methyl 6-(2-amino-2-oxo-ethyl)sulfanyl-5-cyano-4-(2-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate CAS Name: 6-[(2-amino-2-oxoethyl)thio]-5-cyano-4-(2-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-4-(2-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate Traditional Name: 6-[(2-amino-2-keto-ethyl)thio]-5-cyano-2-keto-4-(2-nitrophenyl)-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester Formula: C16H14N4O6S MolecularWeight: 390.37056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N4O6S/c1-26-16(23)13-12(8-4-2-3-5-10(8)20(24)25)9(6-17)15(19-14(13)22)27-7-11(18)21/h2-5,12-13H,7H2,1H3,(H2,18,21)(H,19,22)