[2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxylate Openeye Name: [2-oxo-2-[2-(2-thienyl)ethylamino]ethyl] 5-ethyl-1-(p-tolyl)pyrazole-4-carboxylate CAS Name: 5-ethyl-1-(4-methylphenyl)-4-pyrazolecarboxylic acid [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxylate Traditional Name: 5-ethyl-1-(p-tolyl)pyrazole-4-carboxylic acid [2-keto-2-[2-(2-thienyl)ethylamino]ethyl] ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NN1C2=CC=C(C=C2)C)C(=O)OCC(=O)NCCC3=CC=CS3

Isomeric SMILES

CCC1=C(C=NN1C2=CC=C(C=C2)C)C(=O)OCC(=O)NCCC3=CC=CS3

InChI

InChI=1S/C21H23N3O3S/c1-3-19-18(13-23-24(19)16-8-6-15(2)7-9-16)21(26)27-14-20(25)22-11-10-17-5-4-12-28-17/h4-9,12-13H,3,10-11,14H2,1-2H3,(H,22,25)