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

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazole-4-carboxylate Openeye Name: [2-oxo-2-(2-thienylmethylamino)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-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)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-thenylamino)ethyl] ester Formula: C20H20ClN3O3S MolecularWeight: 417.9091

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)C(=O)OCC(=O)NCC3=CC=CS3

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)C(=O)OCC(=O)NCC3=CC=CS3

InChI

InChI=1S/C20H20ClN3O3S/c1-13-19(14(2)24(23-13)11-15-6-3-4-8-17(15)21)20(26)27-12-18(25)22-10-16-7-5-9-28-16/h3-9H,10-12H2,1-2H3,(H,22,25)