(4S)-3-ethanoyl-4-(4-methoxyphenyl)-2-methyl-6-methylsulfanyl-3,4-dihydropyridine-5-carbonitrile

Systemtic Name: (4S)-3-ethanoyl-4-(4-methoxyphenyl)-2-methyl-6-methylsulfanyl-3,4-dihydropyridine-5-carbonitrile Openeye Name: (4S)-3-acetyl-4-(4-methoxyphenyl)-2-methyl-6-methylsulfanyl-3,4-dihydropyridine-5-carbonitrile CAS Name: (4S)-3-acetyl-4-(4-methoxyphenyl)-2-methyl-6-(methylthio)-3,4-dihydropyridine-5-carbonitrile IUPAC Name: (4S)-3-acetyl-4-(4-methoxyphenyl)-2-methyl-6-methylsulfanyl-3,4-dihydropyridine-5-carbonitrile Traditional Name: (4S)-3-acetyl-4-(4-methoxyphenyl)-2-methyl-6-(methylthio)-3,4-dihydropyridine-5-carbonitrile Formula: C17H18N2O2S MolecularWeight: 314.40202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)C)C2=CC=C(C=C2)OC)C#N)SC

Isomeric SMILES

CC1=NC(=C([C@@H](C1C(=O)C)C2=CC=C(C=C2)OC)C#N)SC

InChI

InChI=1S/C17H18N2O2S/c1-10-15(11(2)20)16(14(9-18)17(19-10)22-4)12-5-7-13(21-3)8-6-12/h5-8,15-16H,1-4H3/t15?,16-/m0/s1