methyl (3S,4S)-5-cyano-4-(2-methylphenyl)-2-oxidanylidene-6-propylsulfanyl-3,4-dihydro-1H-pyridine-3-carboxylate

Systemtic Name: methyl (3S,4S)-5-cyano-4-(2-methylphenyl)-2-oxidanylidene-6-propylsulfanyl-3,4-dihydro-1H-pyridine-3-carboxylate Openeye Name: methyl (3S,4S)-5-cyano-4-(o-tolyl)-2-oxo-6-propylsulfanyl-3,4-dihydro-1H-pyridine-3-carboxylate CAS Name: (3S,4S)-5-cyano-4-(2-methylphenyl)-2-oxo-6-(propylthio)-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl (3S,4S)-5-cyano-4-(2-methylphenyl)-2-oxo-6-propylsulfanyl-3,4-dihydro-1H-pyridine-3-carboxylate Traditional Name: (3S,4S)-5-cyano-2-keto-4-(o-tolyl)-6-(propylthio)-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester Formula: C18H20N2O3S MolecularWeight: 344.428

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C(C(C(=O)N1)C(=O)OC)C2=CC=CC=C2C)C#N

Isomeric SMILES

CCCSC1=C([C@@H]([C@@H](C(=O)N1)C(=O)OC)C2=CC=CC=C2C)C#N

InChI

InChI=1S/C18H20N2O3S/c1-4-9-24-17-13(10-19)14(12-8-6-5-7-11(12)2)15(16(21)20-17)18(22)23-3/h5-8,14-15H,4,9H2,1-3H3,(H,20,21)/t14-,15-/m0/s1