2-[3-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]-5-methyl-isoindole-1,3-dione

Systemtic Name: 2-[3-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]-5-methyl-isoindole-1,3-dione Openeye Name: 2-[3-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxo-propyl]-5-methyl-isoindoline-1,3-dione CAS Name: 2-[3-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-5-methylisoindole-1,3-dione IUPAC Name: 2-[3-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-5-methylisoindole-1,3-dione Traditional Name: 2-[3-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-keto-propyl]-5-methyl-isoindoline-1,3-quinone Formula: C27H26N2O5S MolecularWeight: 490.57074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCC(=O)N3CCC4=CC(=C(C=C4C3C5=CC=CS5)OC)OC

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCC(=O)N3CCC4=CC(=C(C=C4C3C5=CC=CS5)OC)OC

InChI

InChI=1S/C27H26N2O5S/c1-16-6-7-18-20(13-16)27(32)29(26(18)31)11-9-24(30)28-10-8-17-14-21(33-2)22(34-3)15-19(17)25(28)23-5-4-12-35-23/h4-7,12-15,25H,8-11H2,1-3H3