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

Systemtic Name: [(3S,4S,5R,6R)-4,5-diacetyloxy-6-(3-pyridin-4-ylphenoxy)thian-3-yl] ethanoate Openeye Name: [(3S,4S,5R,6R)-4,5-diacetoxy-6-[3-(4-pyridyl)phenoxy]tetrahydrothiopyran-3-yl] acetate CAS Name: acetic acid [(3S,4S,5R,6R)-4,5-diacetyloxy-6-(3-pyridin-4-ylphenoxy)-3-thianyl] ester IUPAC Name: [(3S,4S,5R,6R)-4,5-diacetyloxy-6-(3-pyridin-4-ylphenoxy)thian-3-yl] acetate Traditional Name: acetic acid [(3S,4S,5R,6R)-4,5-diacetoxy-6-[3-(4-pyridyl)phenoxy]tetrahydrothiopyran-3-yl] ester Formula: C22H23NO7S MolecularWeight: 445.48552

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CSC(C(C1OC(=O)C)OC(=O)C)OC2=CC=CC(=C2)C3=CC=NC=C3

Isomeric SMILES

CC(=O)O[C@@H]1CS[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC2=CC=CC(=C2)C3=CC=NC=C3

InChI

InChI=1S/C22H23NO7S/c1-13(24)27-19-12-31-22(21(29-15(3)26)20(19)28-14(2)25)30-18-6-4-5-17(11-18)16-7-9-23-10-8-16/h4-11,19-22H,12H2,1-3H3/t19-,20+,21-,22-/m1/s1