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

Systemtic Name: 2-[[(4S)-5-cyano-3-ethanoyl-4-(4-hydroxyphenyl)-2-methyl-3,4-dihydropyridin-6-yl]sulfanyl]ethanamide Openeye Name: 2-[[(4S)-3-acetyl-5-cyano-4-(4-hydroxyphenyl)-2-methyl-3,4-dihydropyridin-6-yl]sulfanyl]acetamide CAS Name: 2-[[(4S)-3-acetyl-5-cyano-4-(4-hydroxyphenyl)-2-methyl-3,4-dihydropyridin-6-yl]thio]acetamide IUPAC Name: 2-[[(4S)-3-acetyl-5-cyano-4-(4-hydroxyphenyl)-2-methyl-3,4-dihydropyridin-6-yl]sulfanyl]acetamide Traditional Name: 2-[[(4S)-3-acetyl-5-cyano-4-(4-hydroxyphenyl)-2-methyl-3,4-dihydropyridin-6-yl]thio]acetamide Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O3S/c1-9-15(10(2)21)16(11-3-5-12(22)6-4-11)13(7-18)17(20-9)24-8-14(19)23/h3-6,15-16,22H,8H2,1-2H3,(H2,19,23)/t15?,16-/m0/s1