4-[5-[(ethanethioylamino)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]-2-fluoranyl-benzoic acid

Systemtic Name: 4-[5-[(ethanethioylamino)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]-2-fluoranyl-benzoic acid Openeye Name: 4-[5-[(ethanethioylamino)methyl]-2-oxo-oxazolidin-3-yl]-2-fluoro-benzoic acid CAS Name: 2-fluoro-4-[2-oxo-5-[(1-sulfanylideneethylamino)methyl]-3-oxazolidinyl]benzoic acid IUPAC Name: 4-[5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzoic acid Traditional Name: 2-fluoro-4-[2-keto-5-[(thioacetylamino)methyl]oxazolidin-3-yl]benzoic acid Formula: C13H13FN2O4S MolecularWeight: 312.316723

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)C(=O)O)F

Isomeric SMILES

CC(=S)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)C(=O)O)F

InChI

InChI=1S/C13H13FN2O4S/c1-7(21)15-5-9-6-16(13(19)20-9)8-2-3-10(12(17)18)11(14)4-8/h2-4,9H,5-6H2,1H3,(H,15,21)(H,17,18)