[1-[(3-fluoranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(thiophen-2-ylsulfonylamino)propanoate

Systemtic Name: [1-[(3-fluoranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(thiophen-2-ylsulfonylamino)propanoate Openeye Name: [2-(3-fluoro-4-methyl-anilino)-1-methyl-2-oxo-ethyl] 3-(2-thienylsulfonylamino)propanoate CAS Name: 3-(thiophen-2-ylsulfonylamino)propanoic acid [1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 3-(thiophen-2-ylsulfonylamino)propanoate Traditional Name: 3-(2-thienylsulfonylamino)propionic acid [2-(3-fluoro-4-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C17H19FN2O5S2 MolecularWeight: 414.471563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)OC(=O)CCNS(=O)(=O)C2=CC=CS2)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)OC(=O)CCNS(=O)(=O)C2=CC=CS2)F

InChI

InChI=1S/C17H19FN2O5S2/c1-11-5-6-13(10-14(11)18)20-17(22)12(2)25-15(21)7-8-19-27(23,24)16-4-3-9-26-16/h3-6,9-10,12,19H,7-8H2,1-2H3,(H,20,22)