3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]-10,10-bis(oxidanylidene)thioxanthen-9-one

Systemtic Name: 3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]-10,10-bis(oxidanylidene)thioxanthen-9-one Openeye Name: 3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-10,10-dioxo-thioxanthen-9-one CAS Name: 3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-oxomethyl]-10,10-dioxo-9-thioxanthenone IUPAC Name: 3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-10,10-dioxothioxanthen-9-one Traditional Name: 3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-10,10-diketo-thioxanthen-9-one Formula: C25H21NO6S MolecularWeight: 463.50234

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O)OC

InChI

InChI=1S/C25H21NO6S/c1-31-20-11-15-9-10-26(14-17(15)12-21(20)32-2)25(28)16-7-8-19-23(13-16)33(29,30)22-6-4-3-5-18(22)24(19)27/h3-8,11-13H,9-10,14H2,1-2H3