(4R)-3-ethanoyl-2-methyl-4-(2-methylpropyl)-6-phenacylsulfanyl-3,4-dihydropyridine-5-carbonitrile

Systemtic Name: (4R)-3-ethanoyl-2-methyl-4-(2-methylpropyl)-6-phenacylsulfanyl-3,4-dihydropyridine-5-carbonitrile Openeye Name: (4R)-3-acetyl-4-isobutyl-2-methyl-6-phenacylsulfanyl-3,4-dihydropyridine-5-carbonitrile CAS Name: (4R)-3-acetyl-2-methyl-4-(2-methylpropyl)-6-(phenacylthio)-3,4-dihydropyridine-5-carbonitrile IUPAC Name: (4R)-3-acetyl-2-methyl-4-(2-methylpropyl)-6-phenacylsulfanyl-3,4-dihydropyridine-5-carbonitrile Traditional Name: (4R)-3-acetyl-4-isobutyl-2-methyl-6-(phenacylthio)-3,4-dihydropyridine-5-carbonitrile Formula: C21H24N2O2S MolecularWeight: 368.49246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O2S/c1-13(2)10-17-18(11-22)21(23-14(3)20(17)15(4)24)26-12-19(25)16-8-6-5-7-9-16/h5-9,13,17,20H,10,12H2,1-4H3/t17-,20?/m0/s1