(phenylmethyl) 5-cyano-6-[2-(diphenylamino)-2-oxidanylidene-ethyl]sulfanyl-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: (phenylmethyl) 5-cyano-6-[2-(diphenylamino)-2-oxidanylidene-ethyl]sulfanyl-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate Openeye Name: benzyl 5-cyano-4-(2-furyl)-2-methyl-6-[2-oxo-2-(N-phenylanilino)ethyl]sulfanyl-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-4-(2-furanyl)-2-methyl-6-[[2-oxo-2-(N-phenylanilino)ethyl]thio]-1,4-dihydropyridine-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-cyano-4-(furan-2-yl)-2-methyl-6-[2-oxo-2-(N-phenylanilino)ethyl]sulfanyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-4-(2-furyl)-6-[[2-keto-2-(N-phenylanilino)ethyl]thio]-2-methyl-1,4-dihydropyridine-3-carboxylic acid benzyl ester Formula: C33H27N3O4S MolecularWeight: 561.65018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC(=O)N(C2=CC=CC=C2)C3=CC=CC=C3)C#N)C4=CC=CO4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(C(=C(N1)SCC(=O)N(C2=CC=CC=C2)C3=CC=CC=C3)C#N)C4=CC=CO4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C33H27N3O4S/c1-23-30(33(38)40-21-24-12-5-2-6-13-24)31(28-18-11-19-39-28)27(20-34)32(35-23)41-22-29(37)36(25-14-7-3-8-15-25)26-16-9-4-10-17-26/h2-19,31,35H,21-22H2,1H3