[2-oxidanylidene-2-(thiophen-2-ylcarbonylamino)ethyl] 3-(3-methoxyphenyl)-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylcarbonylamino)ethyl] 3-(3-methoxyphenyl)-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carboxylate CAS Name: 3-(3-methoxyphenyl)-1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-oxo-2-[[oxo(thiophen-2-yl)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carboxylate Traditional Name: 1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carboxylic acid [2-keto-2-(2-thenoylamino)ethyl] ester Formula: C25H21N3O5S MolecularWeight: 475.51634

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C=C2C(=O)OCC(=O)NC(=O)C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C=C2C(=O)OCC(=O)NC(=O)C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C25H21N3O5S/c1-32-19-10-5-9-18(13-19)23-20(15-28(27-23)14-17-7-3-2-4-8-17)25(31)33-16-22(29)26-24(30)21-11-6-12-34-21/h2-13,15H,14,16H2,1H3,(H,26,29,30)