[(3S,4S,5R,6R)-4,5-diacetyloxy-6-(5-bromanylpyridin-3-yl)oxy-thian-3-yl] ethanoate

Systemtic Name: [(3S,4S,5R,6R)-4,5-diacetyloxy-6-(5-bromanylpyridin-3-yl)oxy-thian-3-yl] ethanoate Openeye Name: [(3S,4S,5R,6R)-4,5-diacetoxy-6-[(5-bromo-3-pyridyl)oxy]tetrahydrothiopyran-3-yl] acetate CAS Name: acetic acid [(3S,4S,5R,6R)-4,5-diacetyloxy-6-[(5-bromo-3-pyridinyl)oxy]-3-thianyl] ester IUPAC Name: [(3S,4S,5R,6R)-4,5-diacetyloxy-6-(5-bromopyridin-3-yl)oxythian-3-yl] acetate Traditional Name: acetic acid [(3S,4S,5R,6R)-4,5-diacetoxy-6-[(5-bromo-3-pyridyl)oxy]tetrahydrothiopyran-3-yl] ester Formula: C16H18BrNO7S MolecularWeight: 448.28562

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CSC(C(C1OC(=O)C)OC(=O)C)OC2=CC(=CN=C2)Br

Isomeric SMILES

CC(=O)O[C@@H]1CS[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC2=CC(=CN=C2)Br

InChI

InChI=1S/C16H18BrNO7S/c1-8(19)22-13-7-26-16(25-12-4-11(17)5-18-6-12)15(24-10(3)21)14(13)23-9(2)20/h4-6,13-16H,7H2,1-3H3/t13-,14+,15-,16-/m1/s1