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

Systemtic Name: tert-butyl (4R)-6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-(4-chlorophenyl)-5-cyano-2-methyl-3,4-dihydropyridine-3-carboxylate Openeye Name: tert-butyl (4R)-6-(2-amino-2-oxo-ethyl)sulfanyl-4-(4-chlorophenyl)-5-cyano-2-methyl-3,4-dihydropyridine-3-carboxylate CAS Name: (4R)-6-[(2-amino-2-oxoethyl)thio]-4-(4-chlorophenyl)-5-cyano-2-methyl-3,4-dihydropyridine-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (4R)-6-(2-amino-2-oxoethyl)sulfanyl-4-(4-chlorophenyl)-5-cyano-2-methyl-3,4-dihydropyridine-3-carboxylate Traditional Name: (4R)-6-[(2-amino-2-keto-ethyl)thio]-4-(4-chlorophenyl)-5-cyano-2-methyl-3,4-dihydropyridine-3-carboxylic acid tert-butyl ester Formula: C20H22ClN3O3S MolecularWeight: 419.92498

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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)SCC(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O3S/c1-11-16(19(26)27-20(2,3)4)17(12-5-7-13(21)8-6-12)14(9-22)18(24-11)28-10-15(23)25/h5-8,16-17H,10H2,1-4H3,(H2,23,25)/t16?,17-/m1/s1