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

Systemtic Name: [2-(4-methoxyphenyl)-7-methyl-6,8-bis(oxidanylidene)-3-thiophen-3-yl-isoquinolin-7-yl] cyclopentanecarboxylate Openeye Name: [2-(4-methoxyphenyl)-7-methyl-6,8-dioxo-3-(3-thienyl)-7-isoquinolyl] cyclopentanecarboxylate CAS Name: cyclopentanecarboxylic acid [2-(4-methoxyphenyl)-7-methyl-6,8-dioxo-3-(3-thiophenyl)-7-isoquinolinyl] ester IUPAC Name: [2-(4-methoxyphenyl)-7-methyl-6,8-dioxo-3-thiophen-3-ylisoquinolin-7-yl] cyclopentanecarboxylate Traditional Name: cyclopentanecarboxylic acid [6,8-diketo-2-(4-methoxyphenyl)-7-methyl-3-(3-thienyl)-7-isoquinolyl] ester Formula: C27H25NO5S MolecularWeight: 475.5561

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25NO5S/c1-27(33-26(31)17-5-3-4-6-17)24(29)14-19-13-23(18-11-12-34-16-18)28(15-22(19)25(27)30)20-7-9-21(32-2)10-8-20/h7-17H,3-6H2,1-2H3