6,7-dimethoxy-2-[(4-methoxyphenyl)methyl]-3-phenylsulfanyl-3-[(6-prop-2-enyl-1,3-benzodioxol-5-yl)methyl]isoindol-1-one

Systemtic Name: 6,7-dimethoxy-2-[(4-methoxyphenyl)methyl]-3-phenylsulfanyl-3-[(6-prop-2-enyl-1,3-benzodioxol-5-yl)methyl]isoindol-1-one Openeye Name: 3-[(6-allyl-1,3-benzodioxol-5-yl)methyl]-6,7-dimethoxy-2-[(4-methoxyphenyl)methyl]-3-phenylsulfanyl-isoindolin-1-one CAS Name: 6,7-dimethoxy-2-[(4-methoxyphenyl)methyl]-3-(phenylthio)-3-[(6-prop-2-enyl-1,3-benzodioxol-5-yl)methyl]-1-isoindolone IUPAC Name: 6,7-dimethoxy-2-[(4-methoxyphenyl)methyl]-3-phenylsulfanyl-3-[(6-prop-2-enyl-1,3-benzodioxol-5-yl)methyl]isoindol-1-one Traditional Name: 3-[(6-allyl-1,3-benzodioxol-5-yl)methyl]-6,7-dimethoxy-2-p-anisyl-3-(phenylthio)isoindolin-1-one Formula: C35H33NO6S MolecularWeight: 595.70462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=O)C3=C(C2(CC4=CC5=C(C=C4CC=C)OCO5)SC6=CC=CC=C6)C=CC(=C3OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=O)C3=C(C2(CC4=CC5=C(C=C4CC=C)OCO5)SC6=CC=CC=C6)C=CC(=C3OC)OC

InChI

InChI=1S/C35H33NO6S/c1-5-9-24-18-30-31(42-22-41-30)19-25(24)20-35(43-27-10-7-6-8-11-27)28-16-17-29(39-3)33(40-4)32(28)34(37)36(35)21-23-12-14-26(38-2)15-13-23/h5-8,10-19H,1,9,20-22H2,2-4H3