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

Systemtic Name: trifluoromethyl (4R)-4-(3-chlorophenyl)-5-cyano-2-methyl-6-sulfanyl-3,4-dihydropyridine-3-carboxylate Openeye Name: trifluoromethyl (4R)-4-(3-chlorophenyl)-5-cyano-2-methyl-6-sulfanyl-3,4-dihydropyridine-3-carboxylate CAS Name: (4R)-4-(3-chlorophenyl)-5-cyano-6-mercapto-2-methyl-3,4-dihydropyridine-3-carboxylic acid trifluoromethyl ester IUPAC Name: trifluoromethyl (4R)-4-(3-chlorophenyl)-5-cyano-2-methyl-6-sulfanyl-3,4-dihydropyridine-3-carboxylate Traditional Name: (4R)-4-(3-chlorophenyl)-5-cyano-6-mercapto-2-methyl-3,4-dihydropyridine-3-carboxylic acid trifluoromethyl ester Formula: C15H10ClF3N2O2S MolecularWeight: 374.76531

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)OC(F)(F)F)C2=CC(=CC=C2)Cl)C#N)S

Isomeric SMILES

CC1=NC(=C([C@H](C1C(=O)OC(F)(F)F)C2=CC(=CC=C2)Cl)C#N)S

InChI

InChI=1S/C15H10ClF3N2O2S/c1-7-11(14(22)23-15(17,18)19)12(10(6-20)13(24)21-7)8-3-2-4-9(16)5-8/h2-5,11-12,24H,1H3/t11?,12-/m1/s1