[(2R,4aR,6R,7S,8S,8aS)-8-ethanoylsulfanyl-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] benzoate

Systemtic Name: [(2R,4aR,6R,7S,8S,8aS)-8-ethanoylsulfanyl-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] benzoate Openeye Name: [(2R,4aR,6R,7S,8S,8aS)-8-acetylsulfanyl-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] benzoate CAS Name: benzoic acid [(2R,4aR,6R,7S,8S,8aS)-8-(acetylthio)-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] ester IUPAC Name: [(2R,4aR,6R,7S,8S,8aS)-8-acetylsulfanyl-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] benzoate Traditional Name: benzoic acid [(2R,4aR,6R,7S,8S,8aS)-8-(acetylthio)-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] ester Formula: C23H24O7S MolecularWeight: 444.49746

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1C2C(COC(O2)C3=CC=CC=C3)OC(C1OC(=O)C4=CC=CC=C4)OC

Isomeric SMILES

CC(=O)S[C@H]1[C@@H]2[C@@H](CO[C@H](O2)C3=CC=CC=C3)O[C@H]([C@@H]1OC(=O)C4=CC=CC=C4)OC

InChI

InChI=1S/C23H24O7S/c1-14(24)31-20-18-17(13-27-22(30-18)16-11-7-4-8-12-16)28-23(26-2)19(20)29-21(25)15-9-5-3-6-10-15/h3-12,17-20,22-23H,13H2,1-2H3/t17-,18+,19-,20+,22-,23-/m1/s1