[2-(4-acetamido-2-fluoranyl-phenyl)-2-oxidanylidene-ethyl] 3-(thiophen-2-ylcarbonylamino)benzoate

Systemtic Name: [2-(4-acetamido-2-fluoranyl-phenyl)-2-oxidanylidene-ethyl] 3-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: [2-(4-acetamido-2-fluoro-phenyl)-2-oxo-ethyl] 3-(thiophene-2-carbonylamino)benzoate CAS Name: 3-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate Traditional Name: 3-(2-thenoylamino)benzoic acid [2-(4-acetamido-2-fluoro-phenyl)-2-keto-ethyl] ester Formula: C22H17FN2O5S MolecularWeight: 440.444183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)C(=O)COC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CS3)F

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)C(=O)COC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CS3)F

InChI

InChI=1S/C22H17FN2O5S/c1-13(26)24-16-7-8-17(18(23)11-16)19(27)12-30-22(29)14-4-2-5-15(10-14)25-21(28)20-6-3-9-31-20/h2-11H,12H2,1H3,(H,24,26)(H,25,28)