2-[1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]isoindole-1,3-dione

Systemtic Name: 2-[1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]isoindole-1,3-dione Openeye Name: 2-[1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-methylsulfanyl-propyl]isoindoline-1,3-dione CAS Name: 2-[1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-(methylthio)-1-oxobutan-2-yl]isoindole-1,3-dione IUPAC Name: 2-[1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-methylsulfanyl-1-oxobutan-2-yl]isoindole-1,3-dione Traditional Name: 2-[1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-(methylthio)propyl]isoindoline-1,3-quinone Formula: C24H26N2O5S MolecularWeight: 454.53864

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)C(CCSC)N3C(=O)C4=CC=CC=C4C3=O)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)C(CCSC)N3C(=O)C4=CC=CC=C4C3=O)OC

InChI

InChI=1S/C24H26N2O5S/c1-30-20-12-15-8-10-25(14-16(15)13-21(20)31-2)24(29)19(9-11-32-3)26-22(27)17-6-4-5-7-18(17)23(26)28/h4-7,12-13,19H,8-11,14H2,1-3H3