[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-1-(4-fluorophenyl)-3-methyl-4-pyrazolecarboxylic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylate Traditional Name: 5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C18H15ClFN3O3S MolecularWeight: 407.846403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC(=O)NCC2=CC=CS2)Cl)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC(=O)NCC2=CC=CS2)Cl)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H15ClFN3O3S/c1-11-16(17(19)23(22-11)13-6-4-12(20)5-7-13)18(25)26-10-15(24)21-9-14-3-2-8-27-14/h2-8H,9-10H2,1H3,(H,21,24)