[(2R,3R,5R,6R)-6-ethylsulfanyl-5-[(4-methoxyphenyl)methoxy]-2-methyl-oxan-3-yl] benzoate

Systemtic Name: [(2R,3R,5R,6R)-6-ethylsulfanyl-5-[(4-methoxyphenyl)methoxy]-2-methyl-oxan-3-yl] benzoate Openeye Name: [(2R,3R,5R,6R)-6-ethylsulfanyl-5-[(4-methoxyphenyl)methoxy]-2-methyl-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(2R,3R,5R,6R)-6-(ethylthio)-5-[(4-methoxyphenyl)methoxy]-2-methyl-3-oxanyl] ester IUPAC Name: [(2R,3R,5R,6R)-6-ethylsulfanyl-5-[(4-methoxyphenyl)methoxy]-2-methyloxan-3-yl] benzoate Traditional Name: benzoic acid [(2R,3R,5R,6R)-6-(ethylthio)-2-methyl-5-p-anisyloxy-tetrahydropyran-3-yl] ester Formula: C23H28O5S MolecularWeight: 416.53042

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1C(CC(C(O1)C)OC(=O)C2=CC=CC=C2)OCC3=CC=C(C=C3)OC

Isomeric SMILES

CCS[C@@H]1[C@@H](C[C@H]([C@H](O1)C)OC(=O)C2=CC=CC=C2)OCC3=CC=C(C=C3)OC

InChI

InChI=1S/C23H28O5S/c1-4-29-23-21(26-15-17-10-12-19(25-3)13-11-17)14-20(16(2)27-23)28-22(24)18-8-6-5-7-9-18/h5-13,16,20-21,23H,4,14-15H2,1-3H3/t16-,20-,21-,23-/m1/s1