(2-oxidanylidene-2-thiophen-2-yl-ethyl) 3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(4-fluorophenyl)-1-phenyl-4-pyrazolecarboxylic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carboxylic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C22H15FN2O3S MolecularWeight: 406.429503

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)C(=O)OCC(=O)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)C(=O)OCC(=O)C4=CC=CS4

InChI

InChI=1S/C22H15FN2O3S/c23-16-10-8-15(9-11-16)21-18(13-25(24-21)17-5-2-1-3-6-17)22(27)28-14-19(26)20-7-4-12-29-20/h1-13H,14H2