tert-butyl 4-[5-[(ethanethioylamino)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]-2-fluoranyl-benzoate

Systemtic Name: tert-butyl 4-[5-[(ethanethioylamino)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]-2-fluoranyl-benzoate Openeye Name: tert-butyl 4-[5-[(ethanethioylamino)methyl]-2-oxo-oxazolidin-3-yl]-2-fluoro-benzoate CAS Name: 2-fluoro-4-[2-oxo-5-[(1-sulfanylideneethylamino)methyl]-3-oxazolidinyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzoate Traditional Name: 2-fluoro-4-[2-keto-5-[(thioacetylamino)methyl]oxazolidin-3-yl]benzoic acid tert-butyl ester Formula: C17H21FN2O4S MolecularWeight: 368.423043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21FN2O4S/c1-10(25)19-8-12-9-20(16(22)23-12)11-5-6-13(14(18)7-11)15(21)24-17(2,3)4/h5-7,12H,8-9H2,1-4H3,(H,19,25)