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

Systemtic Name: [2-cyclopentyl-7-methyl-6,8-bis(oxidanylidene)-3-thiophen-3-yl-isoquinolin-7-yl] cyclopentanecarboxylate Openeye Name: [2-cyclopentyl-7-methyl-6,8-dioxo-3-(3-thienyl)-7-isoquinolyl] cyclopentanecarboxylate CAS Name: cyclopentanecarboxylic acid [2-cyclopentyl-7-methyl-6,8-dioxo-3-(3-thiophenyl)-7-isoquinolinyl] ester IUPAC Name: (2-cyclopentyl-7-methyl-6,8-dioxo-3-thiophen-3-ylisoquinolin-7-yl) cyclopentanecarboxylate Traditional Name: cyclopentanecarboxylic acid [2-cyclopentyl-6,8-diketo-7-methyl-3-(3-thienyl)-7-isoquinolyl] ester Formula: C25H27NO4S MolecularWeight: 437.55118

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C=C2C=C(N(C=C2C1=O)C3CCCC3)C4=CSC=C4)OC(=O)C5CCCC5

Isomeric SMILES

CC1(C(=O)C=C2C=C(N(C=C2C1=O)C3CCCC3)C4=CSC=C4)OC(=O)C5CCCC5

InChI

InChI=1S/C25H27NO4S/c1-25(30-24(29)16-6-2-3-7-16)22(27)13-18-12-21(17-10-11-31-15-17)26(14-20(18)23(25)28)19-8-4-5-9-19/h10-16,19H,2-9H2,1H3