[2-(4-acetamido-2-fluoranyl-phenyl)-2-oxidanylidene-ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate

Systemtic Name: [2-(4-acetamido-2-fluoranyl-phenyl)-2-oxidanylidene-ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate Openeye Name: [2-(4-acetamido-2-fluoro-phenyl)-2-oxo-ethyl] 3-(2-thienylsulfonylamino)propanoate CAS Name: 3-(thiophen-2-ylsulfonylamino)propanoic acid [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate Traditional Name: 3-(2-thienylsulfonylamino)propionic acid [2-(4-acetamido-2-fluoro-phenyl)-2-keto-ethyl] ester Formula: C17H17FN2O6S2 MolecularWeight: 428.455083

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)C(=O)COC(=O)CCNS(=O)(=O)C2=CC=CS2)F

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)C(=O)COC(=O)CCNS(=O)(=O)C2=CC=CS2)F

InChI

InChI=1S/C17H17FN2O6S2/c1-11(21)20-12-4-5-13(14(18)9-12)15(22)10-26-16(23)6-7-19-28(24,25)17-3-2-8-27-17/h2-5,8-9,19H,6-7,10H2,1H3,(H,20,21)