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

Systemtic Name: (4R)-3-ethanoyl-2-methyl-6-phenacylsulfanyl-4-thiophen-2-yl-3,4-dihydropyridine-5-carbonitrile Openeye Name: (4R)-3-acetyl-2-methyl-6-phenacylsulfanyl-4-(2-thienyl)-3,4-dihydropyridine-5-carbonitrile CAS Name: (4R)-3-acetyl-2-methyl-6-(phenacylthio)-4-thiophen-2-yl-3,4-dihydropyridine-5-carbonitrile IUPAC Name: (4R)-3-acetyl-2-methyl-6-phenacylsulfanyl-4-thiophen-2-yl-3,4-dihydropyridine-5-carbonitrile Traditional Name: (4R)-3-acetyl-2-methyl-6-(phenacylthio)-4-(2-thienyl)-3,4-dihydropyridine-5-carbonitrile Formula: C21H18N2O2S2 MolecularWeight: 394.50982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)C)C2=CC=CS2)C#N)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O2S2/c1-13-19(14(2)24)20(18-9-6-10-26-18)16(11-22)21(23-13)27-12-17(25)15-7-4-3-5-8-15/h3-10,19-20H,12H2,1-2H3/t19?,20-/m1/s1