6-[2-(4,5-dimethoxy-3-oxidanylidene-1-phenylsulfanyl-1H-isoindol-2-yl)ethyl]-1,3-benzodioxole-5-carbaldehyde

Systemtic Name: 6-[2-(4,5-dimethoxy-3-oxidanylidene-1-phenylsulfanyl-1H-isoindol-2-yl)ethyl]-1,3-benzodioxole-5-carbaldehyde Openeye Name: 6-[2-(4,5-dimethoxy-3-oxo-1-phenylsulfanyl-isoindolin-2-yl)ethyl]-1,3-benzodioxole-5-carbaldehyde CAS Name: 6-[2-[4,5-dimethoxy-3-oxo-1-(phenylthio)-1H-isoindol-2-yl]ethyl]-1,3-benzodioxole-5-carboxaldehyde IUPAC Name: 6-[2-(4,5-dimethoxy-3-oxo-1-phenylsulfanyl-1H-isoindol-2-yl)ethyl]-1,3-benzodioxole-5-carbaldehyde Traditional Name: 6-[2-[3-keto-4,5-dimethoxy-1-(phenylthio)isoindolin-2-yl]ethyl]piperonal Formula: C26H23NO6S MolecularWeight: 477.52892

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(N(C2=O)CCC3=CC4=C(C=C3C=O)OCO4)SC5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)C(N(C2=O)CCC3=CC4=C(C=C3C=O)OCO4)SC5=CC=CC=C5)OC

InChI

InChI=1S/C26H23NO6S/c1-30-20-9-8-19-23(24(20)31-2)25(29)27(26(19)34-18-6-4-3-5-7-18)11-10-16-12-21-22(33-15-32-21)13-17(16)14-28/h3-9,12-14,26H,10-11,15H2,1-2H3