2-[2-(1,3-benzodioxol-5-yl)-3-methyl-butyl]-5-methoxy-2,3-dihydro-1-benzofuran-6-thiol

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)-3-methyl-butyl]-5-methoxy-2,3-dihydro-1-benzofuran-6-thiol Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)-3-methyl-butyl]-5-methoxy-2,3-dihydrobenzofuran-6-thiol CAS Name: 2-[2-(1,3-benzodioxol-5-yl)-3-methylbutyl]-5-methoxy-2,3-dihydrobenzofuran-6-thiol IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)-3-methylbutyl]-5-methoxy-2,3-dihydro-1-benzofuran-6-thiol Traditional Name: 2-[2-(1,3-benzodioxol-5-yl)-3-methyl-butyl]-5-methoxy-coumaran-6-thiol Formula: C21H24O4S MolecularWeight: 372.47786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC1CC2=CC(=C(C=C2O1)S)OC)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)C(CC1CC2=CC(=C(C=C2O1)S)OC)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H24O4S/c1-12(2)16(13-4-5-17-19(7-13)24-11-23-17)9-15-6-14-8-20(22-3)21(26)10-18(14)25-15/h4-5,7-8,10,12,15-16,26H,6,9,11H2,1-3H3