(3R)-3-(1,3-benzodioxol-5-yl)-5-[(2S)-5-methoxy-6-sulfanyl-2,3-dihydro-1-benzofuran-2-yl]pentan-2-ol

Systemtic Name: (3R)-3-(1,3-benzodioxol-5-yl)-5-[(2S)-5-methoxy-6-sulfanyl-2,3-dihydro-1-benzofuran-2-yl]pentan-2-ol Openeye Name: (3R)-3-(1,3-benzodioxol-5-yl)-5-[(2S)-5-methoxy-6-sulfanyl-2,3-dihydrobenzofuran-2-yl]pentan-2-ol CAS Name: (3R)-3-(1,3-benzodioxol-5-yl)-5-[(2S)-6-mercapto-5-methoxy-2,3-dihydrobenzofuran-2-yl]-2-pentanol IUPAC Name: (3R)-3-(1,3-benzodioxol-5-yl)-5-[(2S)-5-methoxy-6-sulfanyl-2,3-dihydro-1-benzofuran-2-yl]pentan-2-ol Traditional Name: (3R)-3-(1,3-benzodioxol-5-yl)-5-[(2S)-6-mercapto-5-methoxy-coumaran-2-yl]pentan-2-ol Formula: C21H24O5S MolecularWeight: 388.47726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CCC1CC2=CC(=C(C=C2O1)S)OC)C3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

CC([C@H](CC[C@H]1CC2=CC(=C(C=C2O1)S)OC)C3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C21H24O5S/c1-12(22)16(13-3-6-17-19(8-13)25-11-24-17)5-4-15-7-14-9-20(23-2)21(27)10-18(14)26-15/h3,6,8-10,12,15-16,22,27H,4-5,7,11H2,1-2H3/t12?,15-,16-/m0/s1