1-[2-[[6-(3-oxidanylbutan-2-yl)-1,3-benzodioxol-5-yl]methoxy]-2,3-dihydro-1-benzofuran-7-yl]ethanethione

Systemtic Name: 1-[2-[[6-(3-oxidanylbutan-2-yl)-1,3-benzodioxol-5-yl]methoxy]-2,3-dihydro-1-benzofuran-7-yl]ethanethione Openeye Name: 1-[2-[[6-(2-hydroxy-1-methyl-propyl)-1,3-benzodioxol-5-yl]methoxy]-2,3-dihydrobenzofuran-7-yl]ethanethione CAS Name: 1-[2-[[6-(3-hydroxybutan-2-yl)-1,3-benzodioxol-5-yl]methoxy]-2,3-dihydrobenzofuran-7-yl]ethanethione IUPAC Name: 1-[2-[[6-(3-hydroxybutan-2-yl)-1,3-benzodioxol-5-yl]methoxy]-2,3-dihydro-1-benzofuran-7-yl]ethanethione Traditional Name: 1-[2-[[6-(2-hydroxy-1-methyl-propyl)-1,3-benzodioxol-5-yl]methoxy]coumaran-7-yl]ethanethione Formula: C22H24O5S MolecularWeight: 400.48796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1COC3CC4=CC=CC(=C4O3)C(=S)C)OCO2)C(C)O

Isomeric SMILES

CC(C1=CC2=C(C=C1COC3CC4=CC=CC(=C4O3)C(=S)C)OCO2)C(C)O

InChI

InChI=1S/C22H24O5S/c1-12(13(2)23)18-9-20-19(25-11-26-20)7-16(18)10-24-21-8-15-5-4-6-17(14(3)28)22(15)27-21/h4-7,9,12-13,21,23H,8,10-11H2,1-3H3