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

Systemtic Name: 2-[[6-(3-oxidanylbutan-2-yl)-1,3-benzodioxol-5-yl]methoxy]-2,3-dihydro-1-benzofuran-7-carbothialdehyde Openeye Name: 2-[[6-(2-hydroxy-1-methyl-propyl)-1,3-benzodioxol-5-yl]methoxy]-2,3-dihydrobenzofuran-7-carbothialdehyde CAS Name: 2-[[6-(3-hydroxybutan-2-yl)-1,3-benzodioxol-5-yl]methoxy]-2,3-dihydrobenzofuran-7-carbothioaldehyde IUPAC Name: 2-[[6-(3-hydroxybutan-2-yl)-1,3-benzodioxol-5-yl]methoxy]-2,3-dihydro-1-benzofuran-7-carbothialdehyde Traditional Name: 2-[[6-(2-hydroxy-1-methyl-propyl)-1,3-benzodioxol-5-yl]methoxy]coumaran-7-carbothialdehyde Formula: C21H22O5S MolecularWeight: 386.46138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22O5S/c1-12(13(2)22)17-8-19-18(24-11-25-19)6-16(17)9-23-20-7-14-4-3-5-15(10-27)21(14)26-20/h3-6,8,10,12-13,20,22H,7,9,11H2,1-2H3