[1-oxidanylidene-1-[2,2,2-tris(fluoranyl)ethylamino]propan-2-yl] 5-ethanoylthiophene-2-carboxylate

Systemtic Name: [1-oxidanylidene-1-[2,2,2-tris(fluoranyl)ethylamino]propan-2-yl] 5-ethanoylthiophene-2-carboxylate Openeye Name: [1-methyl-2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 5-acetylthiophene-2-carboxylate CAS Name: 5-acetyl-2-thiophenecarboxylic acid [1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl] 5-acetylthiophene-2-carboxylate Traditional Name: 5-acetylthiophene-2-carboxylic acid [2-keto-1-methyl-2-(2,2,2-trifluoroethylamino)ethyl] ester Formula: C12H12F3NO4S MolecularWeight: 323.28819

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC(F)(F)F)OC(=O)C1=CC=C(S1)C(=O)C

Isomeric SMILES

CC(C(=O)NCC(F)(F)F)OC(=O)C1=CC=C(S1)C(=O)C

InChI

InChI=1S/C12H12F3NO4S/c1-6(17)8-3-4-9(21-8)11(19)20-7(2)10(18)16-5-12(13,14)15/h3-4,7H,5H2,1-2H3,(H,16,18)