[2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl] 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl] 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid [2-keto-2-[3-(trifluoromethyl)anilino]ethyl] ester Formula: C18H11F3N2O5S MolecularWeight: 424.35055

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)COC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)COC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C18H11F3N2O5S/c19-18(20,21)11-2-1-3-12(8-11)22-16(24)9-28-17(25)15-7-10-6-13(23(26)27)4-5-14(10)29-15/h1-8H,9H2,(H,22,24)