ethyl (4R)-4-(4-chlorophenyl)-5-cyano-2-methyl-6-sulfanyl-3,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl (4R)-4-(4-chlorophenyl)-5-cyano-2-methyl-6-sulfanyl-3,4-dihydropyridine-3-carboxylate Openeye Name: ethyl (4R)-4-(4-chlorophenyl)-5-cyano-2-methyl-6-sulfanyl-3,4-dihydropyridine-3-carboxylate CAS Name: (4R)-4-(4-chlorophenyl)-5-cyano-6-mercapto-2-methyl-3,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-4-(4-chlorophenyl)-5-cyano-2-methyl-6-sulfanyl-3,4-dihydropyridine-3-carboxylate Traditional Name: (4R)-4-(4-chlorophenyl)-5-cyano-6-mercapto-2-methyl-3,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C16H15ClN2O2S MolecularWeight: 334.8205

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(=C(N=C1C)S)C#N)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCOC(=O)C1[C@@H](C(=C(N=C1C)S)C#N)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H15ClN2O2S/c1-3-21-16(20)13-9(2)19-15(22)12(8-18)14(13)10-4-6-11(17)7-5-10/h4-7,13-14,22H,3H2,1-2H3/t13?,14-/m1/s1