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

Systemtic Name: (4R)-3-ethanoyl-2-methyl-6-[(3-nitrophenyl)methylsulfanyl]-4-thiophen-2-yl-3,4-dihydropyridine-5-carbonitrile Openeye Name: (4R)-3-acetyl-2-methyl-6-[(3-nitrophenyl)methylsulfanyl]-4-(2-thienyl)-3,4-dihydropyridine-5-carbonitrile CAS Name: (4R)-3-acetyl-2-methyl-6-[(3-nitrophenyl)methylthio]-4-thiophen-2-yl-3,4-dihydropyridine-5-carbonitrile IUPAC Name: (4R)-3-acetyl-2-methyl-6-[(3-nitrophenyl)methylsulfanyl]-4-thiophen-2-yl-3,4-dihydropyridine-5-carbonitrile Traditional Name: (4R)-3-acetyl-2-methyl-6-[(3-nitrobenzyl)thio]-4-(2-thienyl)-3,4-dihydropyridine-5-carbonitrile Formula: C20H17N3O3S2 MolecularWeight: 411.49728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)C)C2=CC=CS2)C#N)SCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C([C@@H](C1C(=O)C)C2=CC=CS2)C#N)SCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O3S2/c1-12-18(13(2)24)19(17-7-4-8-27-17)16(10-21)20(22-12)28-11-14-5-3-6-15(9-14)23(25)26/h3-9,18-19H,11H2,1-2H3/t18?,19-/m1/s1