[(2R,3R,4S,6S)-6-methoxy-2-methyl-3-(phenylcarbonylsulfanyl)oxan-4-yl] benzoate

Systemtic Name: [(2R,3R,4S,6S)-6-methoxy-2-methyl-3-(phenylcarbonylsulfanyl)oxan-4-yl] benzoate Openeye Name: [(2R,3R,4S,6S)-3-benzoylsulfanyl-6-methoxy-2-methyl-tetrahydropyran-4-yl] benzoate CAS Name: benzoic acid [(2R,3R,4S,6S)-3-(benzoylthio)-6-methoxy-2-methyl-4-oxanyl] ester IUPAC Name: [(2R,3R,4S,6S)-3-benzoylsulfanyl-6-methoxy-2-methyloxan-4-yl] benzoate Traditional Name: benzoic acid [(2R,3R,4S,6S)-3-(benzoylthio)-6-methoxy-2-methyl-tetrahydropyran-4-yl] ester Formula: C21H22O5S MolecularWeight: 386.46138

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CC(O1)OC)OC(=O)C2=CC=CC=C2)SC(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@@H]1[C@H]([C@H](C[C@H](O1)OC)OC(=O)C2=CC=CC=C2)SC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H22O5S/c1-14-19(27-21(23)16-11-7-4-8-12-16)17(13-18(24-2)25-14)26-20(22)15-9-5-3-6-10-15/h3-12,14,17-19H,13H2,1-2H3/t14-,17+,18+,19-/m1/s1