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

Systemtic Name: methyl (3R,4R)-5-cyano-6-hexylsulfanyl-4-(2-methylphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridine-3-carboxylate Openeye Name: methyl (3R,4R)-5-cyano-6-hexylsulfanyl-4-(o-tolyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate CAS Name: (3R,4R)-5-cyano-6-(hexylthio)-4-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl (3R,4R)-5-cyano-6-hexylsulfanyl-4-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate Traditional Name: (3R,4R)-5-cyano-6-(hexylthio)-2-keto-4-(o-tolyl)-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=C(C(C(C(=O)N1)C(=O)OC)C2=CC=CC=C2C)C#N

Isomeric SMILES

CCCCCCSC1=C([C@H]([C@H](C(=O)N1)C(=O)OC)C2=CC=CC=C2C)C#N

InChI

InChI=1S/C21H26N2O3S/c1-4-5-6-9-12-27-20-16(13-22)17(15-11-8-7-10-14(15)2)18(19(24)23-20)21(25)26-3/h7-8,10-11,17-18H,4-6,9,12H2,1-3H3,(H,23,24)/t17-,18-/m1/s1