[1-(8-ethanoyl-1,9-dimethoxy-3-methyl-6,7-dihydrocyclopenta[g]isoquinolin-8-yl)-3-phenylsulfanyl-prop-2-ynyl] 4,5-dimethoxy-2-phenylmethoxy-benzoate

Systemtic Name: [1-(8-ethanoyl-1,9-dimethoxy-3-methyl-6,7-dihydrocyclopenta[g]isoquinolin-8-yl)-3-phenylsulfanyl-prop-2-ynyl] 4,5-dimethoxy-2-phenylmethoxy-benzoate Openeye Name: [1-(8-acetyl-1,9-dimethoxy-3-methyl-6,7-dihydrocyclopenta[g]isoquinolin-8-yl)-3-phenylsulfanyl-prop-2-ynyl] 2-benzyloxy-4,5-dimethoxy-benzoate CAS Name: 4,5-dimethoxy-2-phenylmethoxybenzoic acid [1-(8-acetyl-1,9-dimethoxy-3-methyl-6,7-dihydrocyclopenta[g]isoquinolin-8-yl)-3-(phenylthio)prop-2-ynyl] ester IUPAC Name: [1-(8-acetyl-1,9-dimethoxy-3-methyl-6,7-dihydrocyclopenta[g]isoquinolin-8-yl)-3-phenylsulfanylprop-2-ynyl] 4,5-dimethoxy-2-phenylmethoxybenzoate Traditional Name: 2-benzoxy-4,5-dimethoxy-benzoic acid [1-(8-acetyl-1,9-dimethoxy-3-methyl-6,7-dihydrocyclopent[g]isoquinolin-8-yl)-3-(phenylthio)prop-2-ynyl] ester Formula: C42H39NO8S MolecularWeight: 717.82596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC3=C(C(=C2C(=N1)OC)OC)C(CC3)(C(C#CSC4=CC=CC=C4)OC(=O)C5=CC(=C(C=C5OCC6=CC=CC=C6)OC)OC)C(=O)C

Isomeric SMILES

CC1=CC2=CC3=C(C(=C2C(=N1)OC)OC)C(CC3)(C(C#CSC4=CC=CC=C4)OC(=O)C5=CC(=C(C=C5OCC6=CC=CC=C6)OC)OC)C(=O)C

InChI

InChI=1S/C42H39NO8S/c1-26-21-30-22-29-17-19-42(27(2)44,38(29)39(48-5)37(30)40(43-26)49-6)36(18-20-52-31-15-11-8-12-16-31)51-41(45)32-23-34(46-3)35(47-4)24-33(32)50-25-28-13-9-7-10-14-28/h7-16,21-24,36H,17,19,25H2,1-6H3