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

Systemtic Name: methyl 6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-cyano-4-(2-methylphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridine-3-carboxylate Openeye Name: methyl 6-(2-amino-2-oxo-ethyl)sulfanyl-5-cyano-4-(o-tolyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate CAS Name: 6-[(2-amino-2-oxoethyl)thio]-5-cyano-4-(2-methylphenyl)-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-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate Traditional Name: 6-[(2-amino-2-keto-ethyl)thio]-5-cyano-2-keto-4-(o-tolyl)-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2C(C(=O)NC(=C2C#N)SCC(=O)N)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C2C(C(=O)NC(=C2C#N)SCC(=O)N)C(=O)OC

InChI

InChI=1S/C17H17N3O4S/c1-9-5-3-4-6-10(9)13-11(7-18)16(25-8-12(19)21)20-15(22)14(13)17(23)24-2/h3-6,13-14H,8H2,1-2H3,(H2,19,21)(H,20,22)