[2-[[5-(4-methylphenyl)-2-phenyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl] 2-[2-[(4-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: [2-[[5-(4-methylphenyl)-2-phenyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl] 2-[2-[(4-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: [2-oxo-2-[[2-phenyl-5-(p-tolyl)pyrazol-3-yl]amino]ethyl] 2-[2-(4-methoxycarbonylanilino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(4-methoxycarbonylanilino)-2-oxoethyl]thio]benzoic acid [2-[[5-(4-methylphenyl)-2-phenyl-3-pyrazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[5-(4-methylphenyl)-2-phenylpyrazol-3-yl]amino]-2-oxoethyl] 2-[2-(4-methoxycarbonylanilino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(4-carbomethoxyanilino)-2-keto-ethyl]thio]benzoic acid [2-keto-2-[[2-phenyl-5-(p-tolyl)pyrazol-3-yl]amino]ethyl] ester Formula: C35H30N4O6S MolecularWeight: 634.7009

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)COC(=O)C3=CC=CC=C3SCC(=O)NC4=CC=C(C=C4)C(=O)OC)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)COC(=O)C3=CC=CC=C3SCC(=O)NC4=CC=C(C=C4)C(=O)OC)C5=CC=CC=C5

InChI

InChI=1S/C35H30N4O6S/c1-23-12-14-24(15-13-23)29-20-31(39(38-29)27-8-4-3-5-9-27)37-32(40)21-45-35(43)28-10-6-7-11-30(28)46-22-33(41)36-26-18-16-25(17-19-26)34(42)44-2/h3-20H,21-22H2,1-2H3,(H,36,41)(H,37,40)