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

Systemtic Name: methyl (3R)-6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-cyano-4-(4-methylphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridine-3-carboxylate Openeye Name: methyl (3R)-6-(2-amino-2-oxo-ethyl)sulfanyl-5-cyano-2-oxo-4-(p-tolyl)-3,4-dihydro-1H-pyridine-3-carboxylate CAS Name: (3R)-6-[(2-amino-2-oxoethyl)thio]-5-cyano-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate Traditional Name: (3R)-6-[(2-amino-2-keto-ethyl)thio]-5-cyano-2-keto-4-(p-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=C(C=C1)C2C(C(=O)NC(=C2C#N)SCC(=O)N)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2[C@H](C(=O)NC(=C2C#N)SCC(=O)N)C(=O)OC

InChI

InChI=1S/C17H17N3O4S/c1-9-3-5-10(6-4-9)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)/t13?,14-/m1/s1