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

Systemtic Name: 2-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-7,8-dimethoxy-4-methyl-4-methylsulfanyl-1H-isoquinolin-3-one Openeye Name: 2-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-7,8-dimethoxy-4-methyl-4-methylsulfanyl-1H-isoquinolin-3-one CAS Name: 2-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-7,8-dimethoxy-4-methyl-4-(methylthio)-1H-isoquinolin-3-one IUPAC Name: 2-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-7,8-dimethoxy-4-methyl-4-methylsulfanyl-1H-isoquinolin-3-one Traditional Name: 2-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-7,8-dimethoxy-4-methyl-4-(methylthio)-1H-isoquinolin-3-one Formula: C23H28BrNO5S MolecularWeight: 510.44112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28BrNO5S/c1-23(31-6)16-7-8-18(27-2)21(30-5)15(16)13-25(22(23)26)10-9-14-11-19(28-3)20(29-4)12-17(14)24/h7-8,11-12H,9-10,13H2,1-6H3