[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxylate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxylate Openeye Name: [2-(3,4-dimethoxyanilino)-2-oxo-ethyl] 1-phenyl-3-(2-thienyl)pyrazole-4-carboxylate CAS Name: 1-phenyl-3-thiophen-2-yl-4-pyrazolecarboxylic acid [2-(3,4-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyanilino)-2-oxoethyl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate Traditional Name: 1-phenyl-3-(2-thienyl)pyrazole-4-carboxylic acid [2-(3,4-dimethoxyanilino)-2-keto-ethyl] ester Formula: C24H21N3O5S MolecularWeight: 463.50564

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)OC

InChI

InChI=1S/C24H21N3O5S/c1-30-19-11-10-16(13-20(19)31-2)25-22(28)15-32-24(29)18-14-27(17-7-4-3-5-8-17)26-23(18)21-9-6-12-33-21/h3-14H,15H2,1-2H3,(H,25,28)