ethyl 4-[[5-cyano-2-methyl-6-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-1,4-dihydropyridin-3-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[5-cyano-2-methyl-6-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-1,4-dihydropyridin-3-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[5-cyano-2-methyl-6-[2-oxo-2-(p-tolyl)ethyl]sulfanyl-4-phenyl-1,4-dihydropyridine-3-carbonyl]amino]benzoate CAS Name: 4-[[[5-cyano-2-methyl-6-[[2-(4-methylphenyl)-2-oxoethyl]thio]-4-phenyl-1,4-dihydropyridin-3-yl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-cyano-2-methyl-6-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-4-phenyl-1,4-dihydropyridine-3-carbonyl]amino]benzoate Traditional Name: 4-[[5-cyano-6-[[2-keto-2-(p-tolyl)ethyl]thio]-2-methyl-4-phenyl-1,4-dihydropyridine-3-carbonyl]amino]benzoic acid ethyl ester Formula: C32H29N3O4S MolecularWeight: 551.65536

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(NC(=C(C2C3=CC=CC=C3)C#N)SCC(=O)C4=CC=C(C=C4)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(NC(=C(C2C3=CC=CC=C3)C#N)SCC(=O)C4=CC=C(C=C4)C)C

InChI

InChI=1S/C32H29N3O4S/c1-4-39-32(38)24-14-16-25(17-15-24)35-30(37)28-21(3)34-31(26(18-33)29(28)23-8-6-5-7-9-23)40-19-27(36)22-12-10-20(2)11-13-22/h5-17,29,34H,4,19H2,1-3H3,(H,35,37)