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

Systemtic Name: [2-[(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl] 1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-carboxylate Openeye Name: [2-(2-methoxyanilino)-2-oxo-ethyl] 1-benzyl-3-(2-thienyl)pyrazole-4-carboxylate CAS Name: 1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolecarboxylic acid [2-(2-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxyanilino)-2-oxoethyl] 1-benzyl-3-thiophen-2-ylpyrazole-4-carboxylate Traditional Name: 1-benzyl-3-(2-thienyl)pyrazole-4-carboxylic acid [2-keto-2-(o-anisidino)ethyl] ester Formula: C24H21N3O4S MolecularWeight: 447.50624

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)COC(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1NC(=O)COC(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C24H21N3O4S/c1-30-20-11-6-5-10-19(20)25-22(28)16-31-24(29)18-15-27(14-17-8-3-2-4-9-17)26-23(18)21-12-7-13-32-21/h2-13,15H,14,16H2,1H3,(H,25,28)