[1-oxidanylidene-1-[2,2,2-tris(fluoranyl)ethylamino]propan-2-yl] 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate

Systemtic Name: [1-oxidanylidene-1-[2,2,2-tris(fluoranyl)ethylamino]propan-2-yl] 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate Openeye Name: [1-methyl-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 [1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl] 2-phenyl-5-thiophen-2-ylpyrazole-3-carboxylate Traditional Name: 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylic acid [2-keto-1-methyl-2-(2,2,2-trifluoroethylamino)ethyl] ester Formula: C19H16F3N3O3S MolecularWeight: 423.40885

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC(F)(F)F)OC(=O)C1=CC(=NN1C2=CC=CC=C2)C3=CC=CS3

Isomeric SMILES

CC(C(=O)NCC(F)(F)F)OC(=O)C1=CC(=NN1C2=CC=CC=C2)C3=CC=CS3

InChI

InChI=1S/C19H16F3N3O3S/c1-12(17(26)23-11-19(20,21)22)28-18(27)15-10-14(16-8-5-9-29-16)24-25(15)13-6-3-2-4-7-13/h2-10,12H,11H2,1H3,(H,23,26)