[(3S,4S,5S,6S)-6-acetyloxy-4,5-bis(phenylmethoxy)thiepan-3-yl] ethanoate

Systemtic Name: [(3S,4S,5S,6S)-6-acetyloxy-4,5-bis(phenylmethoxy)thiepan-3-yl] ethanoate Openeye Name: [(3S,4S,5S,6S)-6-acetoxy-4,5-dibenzyloxy-thiepan-3-yl] acetate CAS Name: acetic acid [(3S,4S,5S,6S)-6-acetyloxy-4,5-bis(phenylmethoxy)-3-thiepanyl] ester IUPAC Name: [(3S,4S,5S,6S)-6-acetyloxy-4,5-bis(phenylmethoxy)thiepan-3-yl] acetate Traditional Name: acetic acid [(3S,4S,5S,6S)-6-acetoxy-4,5-dibenzoxy-thiepan-3-yl] ester Formula: C24H28O6S MolecularWeight: 444.54052

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CSCC(C(C1OCC2=CC=CC=C2)OCC3=CC=CC=C3)OC(=O)C

Isomeric SMILES

CC(=O)O[C@@H]1CSC[C@H]([C@H]([C@@H]1OCC2=CC=CC=C2)OCC3=CC=CC=C3)OC(=O)C

InChI

InChI=1S/C24H28O6S/c1-17(25)29-21-15-31-16-22(30-18(2)26)24(28-14-20-11-7-4-8-12-20)23(21)27-13-19-9-5-3-6-10-19/h3-12,21-24H,13-16H2,1-2H3/t21-,22-,23-,24-/m1/s1