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

Systemtic Name: [7-methyl-2-(2-methylpropyl)-6,8-bis(oxidanylidene)-3-thiophen-3-yl-isoquinolin-7-yl] cyclopentanecarboxylate Openeye Name: [2-isobutyl-7-methyl-6,8-dioxo-3-(3-thienyl)-7-isoquinolyl] cyclopentanecarboxylate CAS Name: cyclopentanecarboxylic acid [7-methyl-2-(2-methylpropyl)-6,8-dioxo-3-(3-thiophenyl)-7-isoquinolinyl] ester IUPAC Name: [7-methyl-2-(2-methylpropyl)-6,8-dioxo-3-thiophen-3-ylisoquinolin-7-yl] cyclopentanecarboxylate Traditional Name: cyclopentanecarboxylic acid [2-isobutyl-6,8-diketo-7-methyl-3-(3-thienyl)-7-isoquinolyl] ester Formula: C24H27NO4S MolecularWeight: 425.54048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=C2C(=CC(=O)C(C2=O)(C)OC(=O)C3CCCC3)C=C1C4=CSC=C4

Isomeric SMILES

CC(C)CN1C=C2C(=CC(=O)C(C2=O)(C)OC(=O)C3CCCC3)C=C1C4=CSC=C4

InChI

InChI=1S/C24H27NO4S/c1-15(2)12-25-13-19-18(10-20(25)17-8-9-30-14-17)11-21(26)24(3,22(19)27)29-23(28)16-6-4-5-7-16/h8-11,13-16H,4-7,12H2,1-3H3