[(2S,3R,4R,5R,6S)-5-acetyloxy-6-(5-tert-butyl-2-methyl-phenyl)sulfanyl-2-methyl-4-oxidanyl-oxan-3-yl] ethanoate

Systemtic Name: [(2S,3R,4R,5R,6S)-5-acetyloxy-6-(5-tert-butyl-2-methyl-phenyl)sulfanyl-2-methyl-4-oxidanyl-oxan-3-yl] ethanoate Openeye Name: [(2S,3R,4R,5R,6S)-5-acetoxy-6-(5-tert-butyl-2-methyl-phenyl)sulfanyl-4-hydroxy-2-methyl-tetrahydropyran-3-yl] acetate CAS Name: acetic acid [(2S,3R,4R,5R,6S)-5-acetyloxy-6-[(5-tert-butyl-2-methylphenyl)thio]-4-hydroxy-2-methyl-3-oxanyl] ester IUPAC Name: [(2S,3R,4R,5R,6S)-5-acetyloxy-6-(5-tert-butyl-2-methylphenyl)sulfanyl-4-hydroxy-2-methyloxan-3-yl] acetate Traditional Name: acetic acid [(2S,3R,4R,5R,6S)-5-acetoxy-6-[(5-tert-butyl-2-methyl-phenyl)thio]-4-hydroxy-2-methyl-tetrahydropyran-3-yl] ester Formula: C21H30O6S MolecularWeight: 410.5243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30O6S/c1-11-8-9-15(21(5,6)7)10-16(11)28-20-19(27-14(4)23)17(24)18(12(2)25-20)26-13(3)22/h8-10,12,17-20,24H,1-7H3/t12-,17+,18-,19+,20-/m0/s1