(4R)-3-ethanoyl-2-methyl-4-(2-methylpropyl)-6-[(3-nitrophenyl)methylsulfanyl]-3,4-dihydropyridine-5-carbonitrile

Systemtic Name: (4R)-3-ethanoyl-2-methyl-4-(2-methylpropyl)-6-[(3-nitrophenyl)methylsulfanyl]-3,4-dihydropyridine-5-carbonitrile Openeye Name: (4R)-3-acetyl-4-isobutyl-2-methyl-6-[(3-nitrophenyl)methylsulfanyl]-3,4-dihydropyridine-5-carbonitrile CAS Name: (4R)-3-acetyl-2-methyl-4-(2-methylpropyl)-6-[(3-nitrophenyl)methylthio]-3,4-dihydropyridine-5-carbonitrile IUPAC Name: (4R)-3-acetyl-2-methyl-4-(2-methylpropyl)-6-[(3-nitrophenyl)methylsulfanyl]-3,4-dihydropyridine-5-carbonitrile Traditional Name: (4R)-3-acetyl-4-isobutyl-2-methyl-6-[(3-nitrobenzyl)thio]-3,4-dihydropyridine-5-carbonitrile Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)C)CC(C)C)C#N)SCC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C([C@@H](C1C(=O)C)CC(C)C)C#N)SCC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O3S/c1-12(2)8-17-18(10-21)20(22-13(3)19(17)14(4)24)27-11-15-6-5-7-16(9-15)23(25)26/h5-7,9,12,17,19H,8,11H2,1-4H3/t17-,19?/m0/s1