(2S,3R,4S)-5-cyano-2-methyl-N-(2-methylphenyl)-2-oxidanyl-6-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-3-carboxamide

Systemtic Name: (2S,3R,4S)-5-cyano-2-methyl-N-(2-methylphenyl)-2-oxidanyl-6-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-3-carboxamide Openeye Name: (2S,3R,4S)-6-(2-anilino-2-oxo-ethyl)sulfanyl-5-cyano-2-hydroxy-2-methyl-N-(o-tolyl)-4-(2-thienyl)-3,4-dihydro-1H-pyridine-3-carboxamide CAS Name: (2S,3R,4S)-6-[(2-anilino-2-oxoethyl)thio]-5-cyano-2-hydroxy-2-methyl-N-(2-methylphenyl)-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-3-carboxamide IUPAC Name: (2S,3R,4S)-6-(2-anilino-2-oxoethyl)sulfanyl-5-cyano-2-hydroxy-2-methyl-N-(2-methylphenyl)-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-3-carboxamide Traditional Name: (2S,3R,4S)-6-[(2-anilino-2-keto-ethyl)thio]-5-cyano-2-hydroxy-2-methyl-N-(o-tolyl)-4-(2-thienyl)-3,4-dihydro-1H-pyridine-3-carboxamide Formula: C27H26N4O3S2 MolecularWeight: 518.65034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2C(C(=C(NC2(C)O)SCC(=O)NC3=CC=CC=C3)C#N)C4=CC=CS4

Isomeric SMILES

CC1=CC=CC=C1NC(=O)[C@@H]2[C@@H](C(=C(N[C@@]2(C)O)SCC(=O)NC3=CC=CC=C3)C#N)C4=CC=CS4

InChI

InChI=1S/C27H26N4O3S2/c1-17-9-6-7-12-20(17)30-25(33)24-23(21-13-8-14-35-21)19(15-28)26(31-27(24,2)34)36-16-22(32)29-18-10-4-3-5-11-18/h3-14,23-24,31,34H,16H2,1-2H3,(H,29,32)(H,30,33)/t23-,24-,27-/m0/s1