tert-butyl (4R)-4-(4-chlorophenyl)-5-cyano-2-methyl-6-methylsulfanyl-3,4-dihydropyridine-3-carboxylate

Systemtic Name: tert-butyl (4R)-4-(4-chlorophenyl)-5-cyano-2-methyl-6-methylsulfanyl-3,4-dihydropyridine-3-carboxylate Openeye Name: tert-butyl (4R)-4-(4-chlorophenyl)-5-cyano-2-methyl-6-methylsulfanyl-3,4-dihydropyridine-3-carboxylate CAS Name: (4R)-4-(4-chlorophenyl)-5-cyano-2-methyl-6-(methylthio)-3,4-dihydropyridine-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (4R)-4-(4-chlorophenyl)-5-cyano-2-methyl-6-methylsulfanyl-3,4-dihydropyridine-3-carboxylate Traditional Name: (4R)-4-(4-chlorophenyl)-5-cyano-2-methyl-6-(methylthio)-3,4-dihydropyridine-3-carboxylic acid tert-butyl ester Formula: C19H21ClN2O2S MolecularWeight: 376.90024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN2O2S/c1-11-15(18(23)24-19(2,3)4)16(12-6-8-13(20)9-7-12)14(10-21)17(22-11)25-5/h6-9,15-16H,1-5H3/t15?,16-/m1/s1