[2-oxidanylidene-2-(thiophen-2-ylcarbonylamino)ethyl] 1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylcarbonylamino)ethyl] 1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazole-4-carboxylate Openeye Name: [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazole-4-carboxylate CAS Name: 1-[(2-chlorophenyl)methyl]-3,5-dimethyl-4-pyrazolecarboxylic acid [2-oxo-2-[[oxo(thiophen-2-yl)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxylate Traditional Name: 1-(2-chlorobenzyl)-3,5-dimethyl-pyrazole-4-carboxylic acid [2-keto-2-(2-thenoylamino)ethyl] ester Formula: C20H18ClN3O4S MolecularWeight: 431.89262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)C(=O)OCC(=O)NC(=O)C3=CC=CS3

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)C(=O)OCC(=O)NC(=O)C3=CC=CS3

InChI

InChI=1S/C20H18ClN3O4S/c1-12-18(13(2)24(23-12)10-14-6-3-4-7-15(14)21)20(27)28-11-17(25)22-19(26)16-8-5-9-29-16/h3-9H,10-11H2,1-2H3,(H,22,25,26)