(4R)-3-cyano-2-[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-N-phenyl-4-thiophen-2-yl-3,4-dihydropyridine-5-carboxamide

Systemtic Name: (4R)-3-cyano-2-[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-N-phenyl-4-thiophen-2-yl-3,4-dihydropyridine-5-carboxamide Openeye Name: (4R)-3-cyano-2-[2-(2,5-dimethylanilino)-2-oxo-ethyl]sulfanyl-6-methyl-N-phenyl-4-(2-thienyl)-3,4-dihydropyridine-5-carboxamide CAS Name: (4R)-3-cyano-2-[[2-(2,5-dimethylanilino)-2-oxoethyl]thio]-6-methyl-N-phenyl-4-thiophen-2-yl-3,4-dihydropyridine-5-carboxamide IUPAC Name: (4R)-3-cyano-2-[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanyl-6-methyl-N-phenyl-4-thiophen-2-yl-3,4-dihydropyridine-5-carboxamide Traditional Name: (4R)-3-cyano-2-[[2-(2,5-dimethylanilino)-2-keto-ethyl]thio]-6-methyl-N-phenyl-4-(2-thienyl)-3,4-dihydropyridine-5-carboxamide Formula: C28H26N4O2S2 MolecularWeight: 514.66164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)CSC2=NC(=C(C(C2C#N)C3=CC=CS3)C(=O)NC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CSC2=NC(=C([C@@H](C2C#N)C3=CC=CS3)C(=O)NC4=CC=CC=C4)C

InChI

InChI=1S/C28H26N4O2S2/c1-17-11-12-18(2)22(14-17)32-24(33)16-36-28-21(15-29)26(23-10-7-13-35-23)25(19(3)30-28)27(34)31-20-8-5-4-6-9-20/h4-14,21,26H,16H2,1-3H3,(H,31,34)(H,32,33)/t21?,26-/m0/s1