2-[[(4S)-3-cyano-5-ethanoyl-6-methyl-4-(2-methylpropyl)-1,4-dihydropyridin-2-yl]sulfanyl]ethanamide

Systemtic Name: 2-[[(4S)-3-cyano-5-ethanoyl-6-methyl-4-(2-methylpropyl)-1,4-dihydropyridin-2-yl]sulfanyl]ethanamide Openeye Name: 2-[[(4S)-5-acetyl-3-cyano-4-isobutyl-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl]acetamide CAS Name: 2-[[(4S)-5-acetyl-3-cyano-6-methyl-4-(2-methylpropyl)-1,4-dihydropyridin-2-yl]thio]acetamide IUPAC Name: 2-[[(4S)-5-acetyl-3-cyano-6-methyl-4-(2-methylpropyl)-1,4-dihydropyridin-2-yl]sulfanyl]acetamide Traditional Name: 2-[[(4S)-5-acetyl-3-cyano-4-isobutyl-6-methyl-1,4-dihydropyridin-2-yl]thio]acetamide Formula: C15H21N3O2S MolecularWeight: 307.41114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC(=O)N)C#N)CC(C)C)C(=O)C

Isomeric SMILES

CC1=C([C@@H](C(=C(N1)SCC(=O)N)C#N)CC(C)C)C(=O)C

InChI

InChI=1S/C15H21N3O2S/c1-8(2)5-11-12(6-16)15(21-7-13(17)20)18-9(3)14(11)10(4)19/h8,11,18H,5,7H2,1-4H3,(H2,17,20)/t11-/m1/s1