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

Systemtic Name: [2-cyclohexyl-7-methyl-6,8-bis(oxidanylidene)-3-thiophen-3-yl-isoquinolin-7-yl] cyclopentanecarboxylate Openeye Name: [2-cyclohexyl-7-methyl-6,8-dioxo-3-(3-thienyl)-7-isoquinolyl] cyclopentanecarboxylate CAS Name: cyclopentanecarboxylic acid [2-cyclohexyl-7-methyl-6,8-dioxo-3-(3-thiophenyl)-7-isoquinolinyl] ester IUPAC Name: (2-cyclohexyl-7-methyl-6,8-dioxo-3-thiophen-3-ylisoquinolin-7-yl) cyclopentanecarboxylate Traditional Name: cyclopentanecarboxylic acid [2-cyclohexyl-6,8-diketo-7-methyl-3-(3-thienyl)-7-isoquinolyl] ester Formula: C26H29NO4S MolecularWeight: 451.57776

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C=C2C=C(N(C=C2C1=O)C3CCCCC3)C4=CSC=C4)OC(=O)C5CCCC5

Isomeric SMILES

CC1(C(=O)C=C2C=C(N(C=C2C1=O)C3CCCCC3)C4=CSC=C4)OC(=O)C5CCCC5

InChI

InChI=1S/C26H29NO4S/c1-26(31-25(30)17-7-5-6-8-17)23(28)14-19-13-22(18-11-12-32-16-18)27(15-21(19)24(26)29)20-9-3-2-4-10-20/h11-17,20H,2-10H2,1H3