(phenylmethyl) (4R)-5-cyano-2-methyl-6-sulfanyl-4-thiophen-3-yl-3,4-dihydropyridine-3-carboxylate

Systemtic Name: (phenylmethyl) (4R)-5-cyano-2-methyl-6-sulfanyl-4-thiophen-3-yl-3,4-dihydropyridine-3-carboxylate Openeye Name: benzyl (4R)-5-cyano-2-methyl-6-sulfanyl-4-(3-thienyl)-3,4-dihydropyridine-3-carboxylate CAS Name: (4R)-5-cyano-6-mercapto-2-methyl-4-(3-thiophenyl)-3,4-dihydropyridine-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (4R)-5-cyano-2-methyl-6-sulfanyl-4-thiophen-3-yl-3,4-dihydropyridine-3-carboxylate Traditional Name: (4R)-5-cyano-6-mercapto-2-methyl-4-(3-thienyl)-3,4-dihydropyridine-3-carboxylic acid benzyl ester Formula: C19H16N2O2S2 MolecularWeight: 368.47254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)OCC2=CC=CC=C2)C3=CSC=C3)C#N)S

Isomeric SMILES

CC1=NC(=C([C@H](C1C(=O)OCC2=CC=CC=C2)C3=CSC=C3)C#N)S

InChI

InChI=1S/C19H16N2O2S2/c1-12-16(19(22)23-10-13-5-3-2-4-6-13)17(14-7-8-25-11-14)15(9-20)18(24)21-12/h2-8,11,16-17,24H,10H2,1H3/t16?,17-/m1/s1