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

Systemtic Name: [(2R,3R,4R,5S,6R)-3-acetamido-2-acetyloxy-6-(acetyloxymethyl)-5-sulfanyl-oxan-4-yl] benzoate Openeye Name: [(2R,3R,4R,5S,6R)-3-acetamido-2-acetoxy-6-(acetoxymethyl)-5-sulfanyl-tetrahydropyran-4-yl] benzoate CAS Name: benzoic acid [(2R,3R,4R,5S,6R)-3-acetamido-2-acetyloxy-6-(acetyloxymethyl)-5-mercapto-4-oxanyl] ester IUPAC Name: [(2R,3R,4R,5S,6R)-3-acetamido-2-acetyloxy-6-(acetyloxymethyl)-5-sulfanyloxan-4-yl] benzoate Traditional Name: benzoic acid [(2R,3R,4R,5S,6R)-3-acetamido-2-acetoxy-6-(acetoxymethyl)-5-mercapto-tetrahydropyran-4-yl] ester Formula: C19H23NO8S MolecularWeight: 425.45282

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(OC1OC(=O)C)COC(=O)C)S)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)S)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H23NO8S/c1-10(21)20-15-16(28-18(24)13-7-5-4-6-8-13)17(29)14(9-25-11(2)22)27-19(15)26-12(3)23/h4-8,14-17,19,29H,9H2,1-3H3,(H,20,21)/t14-,15-,16-,17-,19+/m1/s1