N-tert-butyl-2-[[(4S)-4-(4-chlorophenyl)-5-cyano-3-ethanoyl-2-methyl-3,4-dihydropyridin-6-yl]sulfanyl]ethanamide

Systemtic Name: N-tert-butyl-2-[[(4S)-4-(4-chlorophenyl)-5-cyano-3-ethanoyl-2-methyl-3,4-dihydropyridin-6-yl]sulfanyl]ethanamide Openeye Name: 2-[[(4S)-3-acetyl-4-(4-chlorophenyl)-5-cyano-2-methyl-3,4-dihydropyridin-6-yl]sulfanyl]-N-tert-butyl-acetamide CAS Name: 2-[[(4S)-3-acetyl-4-(4-chlorophenyl)-5-cyano-2-methyl-3,4-dihydropyridin-6-yl]thio]-N-tert-butylacetamide IUPAC Name: 2-[[(4S)-3-acetyl-4-(4-chlorophenyl)-5-cyano-2-methyl-3,4-dihydropyridin-6-yl]sulfanyl]-N-tert-butylacetamide Traditional Name: 2-[[(4S)-3-acetyl-4-(4-chlorophenyl)-5-cyano-2-methyl-3,4-dihydropyridin-6-yl]thio]-N-tert-butyl-acetamide Formula: C21H24ClN3O2S MolecularWeight: 417.95216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O2S/c1-12-18(13(2)26)19(14-6-8-15(22)9-7-14)16(10-23)20(24-12)28-11-17(27)25-21(3,4)5/h6-9,18-19H,11H2,1-5H3,(H,25,27)/t18?,19-/m0/s1