(2R,3R,4S,5S)-2-(1-methylbenzimidazol-4-yl)oxythiane-3,4,5-triol

Systemtic Name: (2R,3R,4S,5S)-2-(1-methylbenzimidazol-4-yl)oxythiane-3,4,5-triol Openeye Name: (2R,3R,4S,5S)-2-(1-methylbenzimidazol-4-yl)oxytetrahydrothiopyran-3,4,5-triol CAS Name: (2R,3R,4S,5S)-2-[(1-methyl-4-benzimidazolyl)oxy]thiane-3,4,5-triol IUPAC Name: (2R,3R,4S,5S)-2-(1-methylbenzimidazol-4-yl)oxythiane-3,4,5-triol Traditional Name: (2R,3R,4S,5S)-2-(1-methylbenzimidazol-4-yl)oxytetrahydrothiopyran-3,4,5-triol Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C=CC=C2OC3C(C(C(CS3)O)O)O

Isomeric SMILES

CN1C=NC2=C1C=CC=C2O[C@H]3[C@@H]([C@H]([C@@H](CS3)O)O)O

InChI

InChI=1S/C13H16N2O4S/c1-15-6-14-10-7(15)3-2-4-9(10)19-13-12(18)11(17)8(16)5-20-13/h2-4,6,8,11-13,16-18H,5H2,1H3/t8-,11+,12-,13-/m1/s1