(4R)-3-ethanoyl-6-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]sulfanyl-2-methyl-4-thiophen-2-yl-3,4-dihydropyridine-5-carbonitrile

Systemtic Name: (4R)-3-ethanoyl-6-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]sulfanyl-2-methyl-4-thiophen-2-yl-3,4-dihydropyridine-5-carbonitrile Openeye Name: (4R)-3-acetyl-6-[2-(4-fluorophenyl)-2-oxo-ethyl]sulfanyl-2-methyl-4-(2-thienyl)-3,4-dihydropyridine-5-carbonitrile CAS Name: (4R)-3-acetyl-6-[[2-(4-fluorophenyl)-2-oxoethyl]thio]-2-methyl-4-thiophen-2-yl-3,4-dihydropyridine-5-carbonitrile IUPAC Name: (4R)-3-acetyl-6-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-2-methyl-4-thiophen-2-yl-3,4-dihydropyridine-5-carbonitrile Traditional Name: (4R)-3-acetyl-6-[[2-(4-fluorophenyl)-2-keto-ethyl]thio]-2-methyl-4-(2-thienyl)-3,4-dihydropyridine-5-carbonitrile Formula: C21H17FN2O2S2 MolecularWeight: 412.500283

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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=C(C=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C21H17FN2O2S2/c1-12-19(13(2)25)20(18-4-3-9-27-18)16(10-23)21(24-12)28-11-17(26)14-5-7-15(22)8-6-14/h3-9,19-20H,11H2,1-2H3/t19?,20-/m1/s1