[2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylamino]ethyl] 1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylamino]ethyl] 1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxylate Openeye Name: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 1-phenyl-3-(2-thienyl)pyrazole-4-carboxylate CAS Name: 1-phenyl-3-thiophen-2-yl-4-pyrazolecarboxylic acid [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate Traditional Name: 1-phenyl-3-(2-thienyl)pyrazole-4-carboxylic acid [2-keto-2-(2,2,2-trifluoroethylamino)ethyl] ester Formula: C18H14F3N3O3S MolecularWeight: 409.38227

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C(=O)OCC(=O)NCC(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C(=O)OCC(=O)NCC(F)(F)F

InChI

InChI=1S/C18H14F3N3O3S/c19-18(20,21)11-22-15(25)10-27-17(26)13-9-24(12-5-2-1-3-6-12)23-16(13)14-7-4-8-28-14/h1-9H,10-11H2,(H,22,25)