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

Systemtic Name: tert-butyl (4S)-4-(4-chlorophenyl)-5-cyano-6-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-2-methyl-3,4-dihydropyridine-3-carboxylate Openeye Name: tert-butyl (4S)-4-(4-chlorophenyl)-5-cyano-6-(2-methoxy-2-oxo-ethyl)sulfanyl-2-methyl-3,4-dihydropyridine-3-carboxylate CAS Name: (4S)-4-(4-chlorophenyl)-5-cyano-6-[(2-methoxy-2-oxoethyl)thio]-2-methyl-3,4-dihydropyridine-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (4S)-4-(4-chlorophenyl)-5-cyano-6-(2-methoxy-2-oxoethyl)sulfanyl-2-methyl-3,4-dihydropyridine-3-carboxylate Traditional Name: (4S)-4-(4-chlorophenyl)-5-cyano-6-[(2-keto-2-methoxy-ethyl)thio]-2-methyl-3,4-dihydropyridine-3-carboxylic acid tert-butyl ester Formula: C21H23ClN2O4S MolecularWeight: 434.93632

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O4S/c1-12-17(20(26)28-21(2,3)4)18(13-6-8-14(22)9-7-13)15(10-23)19(24-12)29-11-16(25)27-5/h6-9,17-18H,11H2,1-5H3/t17?,18-/m0/s1