[(2S)-1-oxidanylidene-1-[[3-(trifluoromethyl)phenyl]amino]propan-2-yl] 5-nitrothiophene-2-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-[[3-(trifluoromethyl)phenyl]amino]propan-2-yl] 5-nitrothiophene-2-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [(1S)-2-keto-1-methyl-2-[3-(trifluoromethyl)anilino]ethyl] ester Formula: C15H11F3N2O5S MolecularWeight: 388.31845

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C(F)(F)F)OC(=O)C2=CC=C(S2)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC(=C1)C(F)(F)F)OC(=O)C2=CC=C(S2)[N+](=O)[O-]

InChI

InChI=1S/C15H11F3N2O5S/c1-8(25-14(22)11-5-6-12(26-11)20(23)24)13(21)19-10-4-2-3-9(7-10)15(16,17)18/h2-8H,1H3,(H,19,21)/t8-/m0/s1