[(2R,3S,4R,5R)-5-(4-acetamido-2-oxidanylidene-pyrimidin-1-yl)-4-azido-2-(hydroxymethyl)thiolan-3-yl] benzoate

Systemtic Name: [(2R,3S,4R,5R)-5-(4-acetamido-2-oxidanylidene-pyrimidin-1-yl)-4-azido-2-(hydroxymethyl)thiolan-3-yl] benzoate Openeye Name: [(2R,3S,4R,5R)-5-(4-acetamido-2-oxo-pyrimidin-1-yl)-4-azido-2-(hydroxymethyl)tetrahydrothiophen-3-yl] benzoate CAS Name: benzoic acid [(2R,3S,4R,5R)-5-(4-acetamido-2-oxo-1-pyrimidinyl)-4-azido-2-(hydroxymethyl)-3-thiolanyl] ester IUPAC Name: [(2R,3S,4R,5R)-5-(4-acetamido-2-oxopyrimidin-1-yl)-4-azido-2-(hydroxymethyl)thiolan-3-yl] benzoate Traditional Name: benzoic acid [(2R,3S,4R,5R)-5-(4-acetamido-2-keto-pyrimidin-1-yl)-4-azido-2-methylol-tetrahydrothiophen-3-yl] ester Formula: C18H18N6O5S MolecularWeight: 430.43772

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=O)N(C=C1)C2C(C(C(S2)CO)OC(=O)C3=CC=CC=C3)N=[N+]=[N-]

Isomeric SMILES

CC(=O)NC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](S2)CO)OC(=O)C3=CC=CC=C3)N=[N+]=[N-]

InChI

InChI=1S/C18H18N6O5S/c1-10(26)20-13-7-8-24(18(28)21-13)16-14(22-23-19)15(12(9-25)30-16)29-17(27)11-5-3-2-4-6-11/h2-8,12,14-16,25H,9H2,1H3,(H,20,21,26,28)/t12-,14-,15-,16-/m1/s1