[(2S,5S)-5-(4-acetamido-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl benzoate

Systemtic Name: [(2S,5S)-5-(4-acetamido-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl benzoate Openeye Name: [(2S,5S)-5-(4-acetamido-5-fluoro-2-oxo-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl benzoate CAS Name: benzoic acid [(2S,5S)-5-(4-acetamido-5-fluoro-2-oxo-1-pyrimidinyl)-1,3-oxathiolan-2-yl]methyl ester IUPAC Name: [(2S,5S)-5-(4-acetamido-5-fluoro-2-oxopyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2S,5S)-5-(4-acetamido-5-fluoro-2-keto-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl ester Formula: C17H16FN3O5S MolecularWeight: 393.389443

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=O)N(C=C1F)C2CSC(O2)COC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=NC(=O)N(C=C1F)[C@@H]2CS[C@H](O2)COC(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H16FN3O5S/c1-10(22)19-15-12(18)7-21(17(24)20-15)13-9-27-14(26-13)8-25-16(23)11-5-3-2-4-6-11/h2-7,13-14H,8-9H2,1H3,(H,19,20,22,24)/t13-,14-/m0/s1