ethyl (4S)-5-cyano-2-methyl-6-(2-oxidanylidene-2-thiophen-2-yl-ethyl)sulfanyl-4-phenyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl (4S)-5-cyano-2-methyl-6-(2-oxidanylidene-2-thiophen-2-yl-ethyl)sulfanyl-4-phenyl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl (4S)-5-cyano-2-methyl-6-[2-oxo-2-(2-thienyl)ethyl]sulfanyl-4-phenyl-1,4-dihydropyridine-3-carboxylate CAS Name: (4S)-5-cyano-2-methyl-6-[(2-oxo-2-thiophen-2-ylethyl)thio]-4-phenyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-5-cyano-2-methyl-6-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-4-phenyl-1,4-dihydropyridine-3-carboxylate Traditional Name: (4S)-5-cyano-6-[[2-keto-2-(2-thienyl)ethyl]thio]-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C22H20N2O3S2 MolecularWeight: 424.5358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2)C#N)SCC(=O)C3=CC=CS3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C([C@H]1C2=CC=CC=C2)C#N)SCC(=O)C3=CC=CS3)C

InChI

InChI=1S/C22H20N2O3S2/c1-3-27-22(26)19-14(2)24-21(29-13-17(25)18-10-7-11-28-18)16(12-23)20(19)15-8-5-4-6-9-15/h4-11,20,24H,3,13H2,1-2H3/t20-/m1/s1