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

Systemtic Name: methyl (3R)-6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-(4-chlorophenyl)-5-cyano-2-oxidanylidene-3,4-dihydro-1H-pyridine-3-carboxylate Openeye Name: methyl (3R)-6-(2-amino-2-oxo-ethyl)sulfanyl-4-(4-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate CAS Name: (3R)-6-[(2-amino-2-oxoethyl)thio]-4-(4-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-6-(2-amino-2-oxoethyl)sulfanyl-4-(4-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate Traditional Name: (3R)-6-[(2-amino-2-keto-ethyl)thio]-4-(4-chlorophenyl)-5-cyano-2-keto-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester Formula: C16H14ClN3O4S MolecularWeight: 379.81806

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C(=C(NC1=O)SCC(=O)N)C#N)C2=CC=C(C=C2)Cl

Isomeric SMILES

COC(=O)[C@@H]1C(C(=C(NC1=O)SCC(=O)N)C#N)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H14ClN3O4S/c1-24-16(23)13-12(8-2-4-9(17)5-3-8)10(6-18)15(20-14(13)22)25-7-11(19)21/h2-5,12-13H,7H2,1H3,(H2,19,21)(H,20,22)/t12?,13-/m1/s1