[(2R,3S,4R,5R)-2-ethylsulfanyl-5-(hydroxymethyl)-4-phenylmethoxy-oxolan-3-yl] benzoate

Systemtic Name: [(2R,3S,4R,5R)-2-ethylsulfanyl-5-(hydroxymethyl)-4-phenylmethoxy-oxolan-3-yl] benzoate Openeye Name: [(2R,3S,4R,5R)-4-benzyloxy-2-ethylsulfanyl-5-(hydroxymethyl)tetrahydrofuran-3-yl] benzoate CAS Name: benzoic acid [(2R,3S,4R,5R)-2-(ethylthio)-5-(hydroxymethyl)-4-phenylmethoxy-3-oxolanyl] ester IUPAC Name: [(2R,3S,4R,5R)-2-ethylsulfanyl-5-(hydroxymethyl)-4-phenylmethoxyoxolan-3-yl] benzoate Traditional Name: benzoic acid [(2R,3S,4R,5R)-4-benzoxy-2-(ethylthio)-5-methylol-tetrahydrofuran-3-yl] ester Formula: C21H24O5S MolecularWeight: 388.47726

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1C(C(C(O1)CO)OCC2=CC=CC=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CCS[C@@H]1[C@H]([C@@H]([C@H](O1)CO)OCC2=CC=CC=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H24O5S/c1-2-27-21-19(26-20(23)16-11-7-4-8-12-16)18(17(13-22)25-21)24-14-15-9-5-3-6-10-15/h3-12,17-19,21-22H,2,13-14H2,1H3/t17-,18-,19+,21-/m1/s1