2-[2-(1,3-benzodioxol-5-yl)ethyl]-6,7-dimethoxy-3-(phenylsulfanylmethyl)-3H-isoindol-1-one

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)ethyl]-6,7-dimethoxy-3-(phenylsulfanylmethyl)-3H-isoindol-1-one Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)ethyl]-6,7-dimethoxy-3-(phenylsulfanylmethyl)isoindolin-1-one CAS Name: 2-[2-(1,3-benzodioxol-5-yl)ethyl]-6,7-dimethoxy-3-[(phenylthio)methyl]-3H-isoindol-1-one IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)ethyl]-6,7-dimethoxy-3-(phenylsulfanylmethyl)-3H-isoindol-1-one Traditional Name: 2-homopiperonyl-6,7-dimethoxy-3-[(phenylthio)methyl]isoindolin-1-one Formula: C26H25NO5S MolecularWeight: 463.5454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(N(C2=O)CCC3=CC4=C(C=C3)OCO4)CSC5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)C(N(C2=O)CCC3=CC4=C(C=C3)OCO4)CSC5=CC=CC=C5)OC

InChI

InChI=1S/C26H25NO5S/c1-29-22-11-9-19-20(15-33-18-6-4-3-5-7-18)27(26(28)24(19)25(22)30-2)13-12-17-8-10-21-23(14-17)32-16-31-21/h3-11,14,20H,12-13,15-16H2,1-2H3