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

Systemtic Name: [7-methyl-2-(4-oxidanylbutyl)-6,8-bis(oxidanylidene)-3-thiophen-3-yl-isoquinolin-7-yl] cyclopentanecarboxylate Openeye Name: [2-(4-hydroxybutyl)-7-methyl-6,8-dioxo-3-(3-thienyl)-7-isoquinolyl] cyclopentanecarboxylate CAS Name: cyclopentanecarboxylic acid [2-(4-hydroxybutyl)-7-methyl-6,8-dioxo-3-(3-thiophenyl)-7-isoquinolinyl] ester IUPAC Name: [2-(4-hydroxybutyl)-7-methyl-6,8-dioxo-3-thiophen-3-ylisoquinolin-7-yl] cyclopentanecarboxylate Traditional Name: cyclopentanecarboxylic acid [2-(4-hydroxybutyl)-6,8-diketo-7-methyl-3-(3-thienyl)-7-isoquinolyl] ester Formula: C24H27NO5S MolecularWeight: 441.53988

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C=C2C=C(N(C=C2C1=O)CCCCO)C3=CSC=C3)OC(=O)C4CCCC4

Isomeric SMILES

CC1(C(=O)C=C2C=C(N(C=C2C1=O)CCCCO)C3=CSC=C3)OC(=O)C4CCCC4

InChI

InChI=1S/C24H27NO5S/c1-24(30-23(29)16-6-2-3-7-16)21(27)13-18-12-20(17-8-11-31-15-17)25(9-4-5-10-26)14-19(18)22(24)28/h8,11-16,26H,2-7,9-10H2,1H3