[(2R,3R,4R,5S,6R)-3-acetamido-2-acetyloxy-6-(acetyloxymethyl)-5-thiocyanato-oxan-4-yl] benzoate

Systemtic Name: [(2R,3R,4R,5S,6R)-3-acetamido-2-acetyloxy-6-(acetyloxymethyl)-5-thiocyanato-oxan-4-yl] benzoate Openeye Name: [(2R,3R,4R,5S,6R)-3-acetamido-2-acetoxy-6-(acetoxymethyl)-5-thiocyanato-tetrahydropyran-4-yl] benzoate CAS Name: benzoic acid [(2R,3R,4R,5S,6R)-3-acetamido-2-acetyloxy-6-(acetyloxymethyl)-5-thiocyanato-4-oxanyl] ester IUPAC Name: [(2R,3R,4R,5S,6R)-3-acetamido-2-acetyloxy-6-(acetyloxymethyl)-5-thiocyanatooxan-4-yl] benzoate Traditional Name: benzoic acid [(2R,3R,4R,5S,6R)-3-acetamido-2-acetoxy-6-(acetoxymethyl)-5-thiocyanato-tetrahydropyran-4-yl] ester Formula: C20H22N2O8S MolecularWeight: 450.46228

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(OC1OC(=O)C)COC(=O)C)SC#N)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC(=O)C)COC(=O)C)SC#N)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H22N2O8S/c1-11(23)22-16-17(30-19(26)14-7-5-4-6-8-14)18(31-10-21)15(9-27-12(2)24)29-20(16)28-13(3)25/h4-8,15-18,20H,9H2,1-3H3,(H,22,23)/t15-,16-,17-,18-,20+/m1/s1