2-[2-(6-bromanyl-1,3-benzodioxol-5-yl)ethyl]-7,8-dimethoxy-4-methyl-4-methylsulfanyl-1H-isoquinolin-3-one

Systemtic Name: 2-[2-(6-bromanyl-1,3-benzodioxol-5-yl)ethyl]-7,8-dimethoxy-4-methyl-4-methylsulfanyl-1H-isoquinolin-3-one Openeye Name: 2-[2-(6-bromo-1,3-benzodioxol-5-yl)ethyl]-7,8-dimethoxy-4-methyl-4-methylsulfanyl-1H-isoquinolin-3-one CAS Name: 2-[2-(6-bromo-1,3-benzodioxol-5-yl)ethyl]-7,8-dimethoxy-4-methyl-4-(methylthio)-1H-isoquinolin-3-one IUPAC Name: 2-[2-(6-bromo-1,3-benzodioxol-5-yl)ethyl]-7,8-dimethoxy-4-methyl-4-methylsulfanyl-1H-isoquinolin-3-one Traditional Name: 2-[2-(6-bromo-1,3-benzodioxol-5-yl)ethyl]-7,8-dimethoxy-4-methyl-4-(methylthio)-1H-isoquinolin-3-one Formula: C22H24BrNO5S MolecularWeight: 494.39866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(CN(C1=O)CCC3=CC4=C(C=C3Br)OCO4)C(=C(C=C2)OC)OC)SC

Isomeric SMILES

CC1(C2=C(CN(C1=O)CCC3=CC4=C(C=C3Br)OCO4)C(=C(C=C2)OC)OC)SC

InChI

InChI=1S/C22H24BrNO5S/c1-22(30-4)15-5-6-17(26-2)20(27-3)14(15)11-24(21(22)25)8-7-13-9-18-19(10-16(13)23)29-12-28-18/h5-6,9-10H,7-8,11-12H2,1-4H3