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

Systemtic Name: 2-[4-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxidanylidene-butyl]isoindole-1,3-dione Openeye Name: 2-[4-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-4-oxo-butyl]isoindoline-1,3-dione CAS Name: 2-[4-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]isoindole-1,3-dione IUPAC Name: 2-[4-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]isoindole-1,3-dione Traditional Name: 2-[4-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-4-keto-butyl]isoindoline-1,3-quinone Formula: C27H26N2O5S MolecularWeight: 490.57074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)CCCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=CS5)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)CCCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=CS5)OC

InChI

InChI=1S/C27H26N2O5S/c1-33-21-15-17-11-13-28(25(23-9-6-14-35-23)20(17)16-22(21)34-2)24(30)10-5-12-29-26(31)18-7-3-4-8-19(18)27(29)32/h3-4,6-9,14-16,25H,5,10-13H2,1-2H3