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

Systemtic Name: 2-[2-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxo-ethyl]isoindoline-1,3-dione CAS Name: 2-[2-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]isoindole-1,3-dione IUPAC Name: 2-[2-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]isoindole-1,3-dione Traditional Name: 2-[2-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-keto-ethyl]isoindoline-1,3-quinone Formula: C25H22N2O5S MolecularWeight: 462.51758

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)CN3C(=O)C4=CC=CC=C4C3=O)C5=CC=CS5)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)CN3C(=O)C4=CC=CC=C4C3=O)C5=CC=CS5)OC

InChI

InChI=1S/C25H22N2O5S/c1-31-19-12-15-9-10-26(23(21-8-5-11-33-21)18(15)13-20(19)32-2)22(28)14-27-24(29)16-6-3-4-7-17(16)25(27)30/h3-8,11-13,23H,9-10,14H2,1-2H3