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

Systemtic Name: [(2S,3S,4R,6R)-4-methoxy-2-methyl-6-phenylsulfanyl-oxan-3-yl] benzoate Openeye Name: [(2S,3S,4R,6R)-4-methoxy-2-methyl-6-phenylsulfanyl-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(2S,3S,4R,6R)-4-methoxy-2-methyl-6-(phenylthio)-3-oxanyl] ester IUPAC Name: [(2S,3S,4R,6R)-4-methoxy-2-methyl-6-phenylsulfanyloxan-3-yl] benzoate Traditional Name: benzoic acid [(2S,3S,4R,6R)-4-methoxy-2-methyl-6-(phenylthio)tetrahydropyran-3-yl] ester Formula: C20H22O4S MolecularWeight: 358.45128

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CC(O1)SC2=CC=CC=C2)OC)OC(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@H]1[C@@H]([C@@H](C[C@H](O1)SC2=CC=CC=C2)OC)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H22O4S/c1-14-19(24-20(21)15-9-5-3-6-10-15)17(22-2)13-18(23-14)25-16-11-7-4-8-12-16/h3-12,14,17-19H,13H2,1-2H3/t14-,17+,18+,19-/m0/s1