[(3aR,5S,6S,6aR)-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-ethanoylsulfanyl-ethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] benzoate

Systemtic Name: [(3aR,5S,6S,6aR)-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-ethanoylsulfanyl-ethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] benzoate Openeye Name: [(3aR,5S,6S,6aR)-5-[(1R)-1-acetylsulfanyl-2-[tert-butyl(dimethyl)silyl]oxy-ethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] benzoate CAS Name: benzoic acid [(3aR,5S,6S,6aR)-5-[(1R)-1-(acetylthio)-2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] ester IUPAC Name: [(3aR,5S,6S,6aR)-5-[(1R)-1-acetylsulfanyl-2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] benzoate Traditional Name: benzoic acid [(3aR,5S,6S,6aR)-5-[(1R)-1-(acetylthio)-2-[tert-butyl(dimethyl)silyl]oxy-ethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] ester Formula: C24H36O7SSi MolecularWeight: 496.68894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CO[Si](C)(C)C(C)(C)C)C1C(C2C(O1)OC(O2)(C)C)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)S[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H]1[C@H]([C@@H]2[C@H](O1)OC(O2)(C)C)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H36O7SSi/c1-15(25)32-17(14-27-33(7,8)23(2,3)4)18-19(20-22(29-18)31-24(5,6)30-20)28-21(26)16-12-10-9-11-13-16/h9-13,17-20,22H,14H2,1-8H3/t17-,18-,19-,20-,22-/m1/s1