[2-[(4-cyclopropyl-3-ethoxycarbonyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-(3-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-[(4-cyclopropyl-3-ethoxycarbonyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-(3-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-[(4-cyclopropyl-3-ethoxycarbonyl-2-thienyl)amino]-2-oxo-ethyl] 3-(3-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(3-methoxyphenyl)-1-phenyl-4-pyrazolecarboxylic acid [2-[(4-cyclopropyl-3-ethoxycarbonyl-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-cyclopropyl-3-ethoxycarbonylthiophen-2-yl)amino]-2-oxoethyl] 3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(3-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylic acid [2-[(3-carbethoxy-4-cyclopropyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C29H27N3O6S MolecularWeight: 545.60618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)COC(=O)C3=CN(N=C3C4=CC(=CC=C4)OC)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)COC(=O)C3=CN(N=C3C4=CC(=CC=C4)OC)C5=CC=CC=C5

InChI

InChI=1S/C29H27N3O6S/c1-3-37-29(35)25-23(18-12-13-18)17-39-27(25)30-24(33)16-38-28(34)22-15-32(20-9-5-4-6-10-20)31-26(22)19-8-7-11-21(14-19)36-2/h4-11,14-15,17-18H,3,12-13,16H2,1-2H3,(H,30,33)