[3-acetyloxy-2-[(1R,2R)-2-acetyloxy-3-oxidanyl-1-(2-oxidanylidene-4-sulfanylidene-pyrimidin-1-yl)propoxy]propyl] ethanoate

Systemtic Name: [3-acetyloxy-2-[(1R,2R)-2-acetyloxy-3-oxidanyl-1-(2-oxidanylidene-4-sulfanylidene-pyrimidin-1-yl)propoxy]propyl] ethanoate Openeye Name: [3-acetoxy-2-[(1R,2R)-2-acetoxy-3-hydroxy-1-(2-oxo-4-thioxo-pyrimidin-1-yl)propoxy]propyl] acetate CAS Name: acetic acid [3-acetyloxy-2-[(1R,2R)-2-acetyloxy-3-hydroxy-1-(2-oxo-4-sulfanylidene-1-pyrimidinyl)propoxy]propyl] ester IUPAC Name: [3-acetyloxy-2-[(1R,2R)-2-acetyloxy-3-hydroxy-1-(2-oxo-4-sulfanylidenepyrimidin-1-yl)propoxy]propyl] acetate Traditional Name: acetic acid [3-acetoxy-2-[(1R,2R)-2-acetoxy-3-hydroxy-1-(2-keto-4-thioxo-pyrimidin-1-yl)propoxy]propyl] ester Formula: C16H22N2O9S MolecularWeight: 418.41888

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(COC(=O)C)OC(C(CO)OC(=O)C)N1C=CC(=S)NC1=O

Isomeric SMILES

CC(=O)OCC(COC(=O)C)O[C@H]([C@@H](CO)OC(=O)C)N1C=CC(=S)NC1=O

InChI

InChI=1S/C16H22N2O9S/c1-9(20)24-7-12(8-25-10(2)21)27-15(13(6-19)26-11(3)22)18-5-4-14(28)17-16(18)23/h4-5,12-13,15,19H,6-8H2,1-3H3,(H,17,23,28)/t13-,15-/m1/s1