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

Systemtic Name: 2-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-7,8-dimethoxy-4-methylsulfanyl-1,4-dihydroisoquinolin-3-one Openeye Name: 2-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-7,8-dimethoxy-4-methylsulfanyl-1,4-dihydroisoquinolin-3-one CAS Name: 2-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-7,8-dimethoxy-4-(methylthio)-1,4-dihydroisoquinolin-3-one IUPAC Name: 2-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-7,8-dimethoxy-4-methylsulfanyl-1,4-dihydroisoquinolin-3-one Traditional Name: 2-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-7,8-dimethoxy-4-(methylthio)-1,4-dihydroisoquinolin-3-one Formula: C22H26BrNO5S MolecularWeight: 496.41454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(C(=O)N(C2)CCC3=CC(=C(C=C3Br)OC)OC)SC)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)C(C(=O)N(C2)CCC3=CC(=C(C=C3Br)OC)OC)SC)OC

InChI

InChI=1S/C22H26BrNO5S/c1-26-17-7-6-14-15(20(17)29-4)12-24(22(25)21(14)30-5)9-8-13-10-18(27-2)19(28-3)11-16(13)23/h6-7,10-11,21H,8-9,12H2,1-5H3