[2-[[5-(4-methylphenyl)-2-phenyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl] 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: [2-[[5-(4-methylphenyl)-2-phenyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl] 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: [2-oxo-2-[[2-phenyl-5-(p-tolyl)pyrazol-3-yl]amino]ethyl] 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-acetamido-4,5-dimethyl-3-thiophenecarboxylic 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-acetamido-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-acetamido-4,5-dimethyl-thiophene-3-carboxylic acid [2-keto-2-[[2-phenyl-5-(p-tolyl)pyrazol-3-yl]amino]ethyl] ester Formula: C27H26N4O4S MolecularWeight: 502.58474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)COC(=O)C3=C(SC(=C3C)C)NC(=O)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)COC(=O)C3=C(SC(=C3C)C)NC(=O)C)C4=CC=CC=C4

InChI

InChI=1S/C27H26N4O4S/c1-16-10-12-20(13-11-16)22-14-23(31(30-22)21-8-6-5-7-9-21)29-24(33)15-35-27(34)25-17(2)18(3)36-26(25)28-19(4)32/h5-14H,15H2,1-4H3,(H,28,32)(H,29,33)