(2R,3R,4S)-5-cyano-6-ethylsulfanyl-2-methyl-N-(2-methylphenyl)-2-oxidanyl-4-thiophen-2-yl-4,5-dihydro-3H-pyridine-3-carboxamide

Systemtic Name: (2R,3R,4S)-5-cyano-6-ethylsulfanyl-2-methyl-N-(2-methylphenyl)-2-oxidanyl-4-thiophen-2-yl-4,5-dihydro-3H-pyridine-3-carboxamide Openeye Name: (2R,3R,4S)-5-cyano-6-ethylsulfanyl-2-hydroxy-2-methyl-N-(o-tolyl)-4-(2-thienyl)-4,5-dihydro-3H-pyridine-3-carboxamide CAS Name: (2R,3R,4S)-5-cyano-6-(ethylthio)-2-hydroxy-2-methyl-N-(2-methylphenyl)-4-thiophen-2-yl-4,5-dihydro-3H-pyridine-3-carboxamide IUPAC Name: (2R,3R,4S)-5-cyano-6-ethylsulfanyl-2-hydroxy-2-methyl-N-(2-methylphenyl)-4-thiophen-2-yl-4,5-dihydro-3H-pyridine-3-carboxamide Traditional Name: (2R,3R,4S)-5-cyano-6-(ethylthio)-2-hydroxy-2-methyl-N-(o-tolyl)-4-(2-thienyl)-4,5-dihydro-3H-pyridine-3-carboxamide Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC(C(C(C1C#N)C2=CC=CS2)C(=O)NC3=CC=CC=C3C)(C)O

Isomeric SMILES

CCSC1=N[C@]([C@@H]([C@@H](C1C#N)C2=CC=CS2)C(=O)NC3=CC=CC=C3C)(C)O

InChI

InChI=1S/C21H23N3O2S2/c1-4-27-20-14(12-22)17(16-10-7-11-28-16)18(21(3,26)24-20)19(25)23-15-9-6-5-8-13(15)2/h5-11,14,17-18,26H,4H2,1-3H3,(H,23,25)/t14?,17-,18-,21+/m0/s1