[2-[(4-methoxyphenyl)methyl]-7-methyl-6,8-bis(oxidanylidene)-3-thiophen-3-yl-isoquinolin-7-yl] cyclopentanecarboxylate

Systemtic Name: [2-[(4-methoxyphenyl)methyl]-7-methyl-6,8-bis(oxidanylidene)-3-thiophen-3-yl-isoquinolin-7-yl] cyclopentanecarboxylate Openeye Name: [2-[(4-methoxyphenyl)methyl]-7-methyl-6,8-dioxo-3-(3-thienyl)-7-isoquinolyl] cyclopentanecarboxylate CAS Name: cyclopentanecarboxylic acid [2-[(4-methoxyphenyl)methyl]-7-methyl-6,8-dioxo-3-(3-thiophenyl)-7-isoquinolinyl] ester IUPAC Name: [2-[(4-methoxyphenyl)methyl]-7-methyl-6,8-dioxo-3-thiophen-3-ylisoquinolin-7-yl] cyclopentanecarboxylate Traditional Name: cyclopentanecarboxylic acid [6,8-diketo-7-methyl-2-p-anisyl-3-(3-thienyl)-7-isoquinolyl] ester Formula: C28H27NO5S MolecularWeight: 489.58268

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C=C2C=C(N(C=C2C1=O)CC3=CC=C(C=C3)OC)C4=CSC=C4)OC(=O)C5CCCC5

Isomeric SMILES

CC1(C(=O)C=C2C=C(N(C=C2C1=O)CC3=CC=C(C=C3)OC)C4=CSC=C4)OC(=O)C5CCCC5

InChI

InChI=1S/C28H27NO5S/c1-28(34-27(32)19-5-3-4-6-19)25(30)14-21-13-24(20-11-12-35-17-20)29(16-23(21)26(28)31)15-18-7-9-22(33-2)10-8-18/h7-14,16-17,19H,3-6,15H2,1-2H3