[2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylamino]ethyl] 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylamino]ethyl] 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate Openeye Name: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylate CAS Name: 2-phenyl-5-thiophen-2-yl-3-pyrazolecarboxylic acid [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-phenyl-5-thiophen-2-ylpyrazole-3-carboxylate Traditional Name: 2-phenyl-5-(2-thienyl)pyrazole-3-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(=CC(=N2)C3=CC=CS3)C(=O)OCC(=O)NCC(F)(F)F

Isomeric SMILES

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

InChI

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