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

Systemtic Name: 2-[[(4S)-4-(4-chlorophenyl)-5-cyano-3-ethanoyl-2-methyl-3,4-dihydropyridin-6-yl]sulfanyl]-N-cyclohexyl-ethanamide Openeye Name: 2-[[(4S)-3-acetyl-4-(4-chlorophenyl)-5-cyano-2-methyl-3,4-dihydropyridin-6-yl]sulfanyl]-N-cyclohexyl-acetamide CAS Name: 2-[[(4S)-3-acetyl-4-(4-chlorophenyl)-5-cyano-2-methyl-3,4-dihydropyridin-6-yl]thio]-N-cyclohexylacetamide IUPAC Name: 2-[[(4S)-3-acetyl-4-(4-chlorophenyl)-5-cyano-2-methyl-3,4-dihydropyridin-6-yl]sulfanyl]-N-cyclohexylacetamide Traditional Name: 2-[[(4S)-3-acetyl-4-(4-chlorophenyl)-5-cyano-2-methyl-3,4-dihydropyridin-6-yl]thio]-N-cyclohexyl-acetamide Formula: C23H26ClN3O2S MolecularWeight: 443.98944

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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)NC3CCCCC3

Isomeric SMILES

CC1=NC(=C([C@@H](C1C(=O)C)C2=CC=C(C=C2)Cl)C#N)SCC(=O)NC3CCCCC3

InChI

InChI=1S/C23H26ClN3O2S/c1-14-21(15(2)28)22(16-8-10-17(24)11-9-16)19(12-25)23(26-14)30-13-20(29)27-18-6-4-3-5-7-18/h8-11,18,21-22H,3-7,13H2,1-2H3,(H,27,29)/t21?,22-/m0/s1