[(3S,4R,6R)-5-acetamido-3,4-diacetyloxy-6-ethanoylsulfanyl-oxan-2-yl]methyl ethanoate

Systemtic Name: [(3S,4R,6R)-5-acetamido-3,4-diacetyloxy-6-ethanoylsulfanyl-oxan-2-yl]methyl ethanoate Openeye Name: [(3S,4R,6R)-5-acetamido-3,4-diacetoxy-6-acetylsulfanyl-tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(3S,4R,6R)-5-acetamido-3,4-diacetyloxy-6-(acetylthio)-2-oxanyl]methyl ester IUPAC Name: [(3S,4R,6R)-5-acetamido-3,4-diacetyloxy-6-acetylsulfanyloxan-2-yl]methyl acetate Traditional Name: acetic acid [(3S,4R,6R)-5-acetamido-3,4-diacetoxy-6-(acetylthio)tetrahydropyran-2-yl]methyl ester Formula: C16H23NO9S MolecularWeight: 405.42012

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(OC1SC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)NC1[C@H]([C@@H](C(O[C@@H]1SC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C16H23NO9S/c1-7(18)17-13-15(25-10(4)21)14(24-9(3)20)12(6-23-8(2)19)26-16(13)27-11(5)22/h12-16H,6H2,1-5H3,(H,17,18)/t12?,13?,14-,15-,16-/m1/s1