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

Systemtic Name: ethyl 5-cyano-6-methylsulfanyl-4-(2-nitrophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-methylsulfanyl-4-(2-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate CAS Name: 5-cyano-6-(methylthio)-4-(2-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-methylsulfanyl-4-(2-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate Traditional Name: 5-cyano-2-keto-6-(methylthio)-4-(2-nitrophenyl)-3,4-dihydro-1H-pyridine-3-carboxylic acid ethyl ester Formula: C16H15N3O5S MolecularWeight: 361.3724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O5S/c1-3-24-16(21)13-12(9-6-4-5-7-11(9)19(22)23)10(8-17)15(25-2)18-14(13)20/h4-7,12-13H,3H2,1-2H3,(H,18,20)