(3R,4R)-5-cyano-6-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-2-methylidene-N-phenyl-4-thiophen-2-yl-4,5-dihydro-3H-pyridine-3-carboxamide

Systemtic Name: (3R,4R)-5-cyano-6-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-2-methylidene-N-phenyl-4-thiophen-2-yl-4,5-dihydro-3H-pyridine-3-carboxamide Openeye Name: (3R,4R)-5-cyano-6-[2-(4-methoxyanilino)-2-oxo-ethyl]sulfanyl-2-methylene-N-phenyl-4-(2-thienyl)-4,5-dihydro-3H-pyridine-3-carboxamide CAS Name: (3R,4R)-5-cyano-6-[[2-(4-methoxyanilino)-2-oxoethyl]thio]-2-methylene-N-phenyl-4-thiophen-2-yl-4,5-dihydro-3H-pyridine-3-carboxamide IUPAC Name: (3R,4R)-5-cyano-6-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-2-methylidene-N-phenyl-4-thiophen-2-yl-4,5-dihydro-3H-pyridine-3-carboxamide Traditional Name: (3R,4R)-5-cyano-6-[[2-keto-2-(p-anisidino)ethyl]thio]-2-methylene-N-phenyl-4-(2-thienyl)-4,5-dihydro-3H-pyridine-3-carboxamide Formula: C27H24N4O3S2 MolecularWeight: 516.63446

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CSC2=NC(=C)C(C(C2C#N)C3=CC=CS3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CSC2=NC(=C)[C@@H]([C@H](C2C#N)C3=CC=CS3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C27H24N4O3S2/c1-17-24(26(33)31-18-7-4-3-5-8-18)25(22-9-6-14-35-22)21(15-28)27(29-17)36-16-23(32)30-19-10-12-20(34-2)13-11-19/h3-14,21,24-25H,1,16H2,2H3,(H,30,32)(H,31,33)/t21?,24-,25+/m0/s1