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

Systemtic Name: [7-methyl-6,8-bis(oxidanylidene)-2-(3-propan-2-yloxypropyl)-3-thiophen-3-yl-isoquinolin-7-yl] cyclopentanecarboxylate Openeye Name: [2-(3-isopropoxypropyl)-7-methyl-6,8-dioxo-3-(3-thienyl)-7-isoquinolyl] cyclopentanecarboxylate CAS Name: cyclopentanecarboxylic acid [7-methyl-6,8-dioxo-2-(3-propan-2-yloxypropyl)-3-(3-thiophenyl)-7-isoquinolinyl] ester IUPAC Name: [7-methyl-6,8-dioxo-2-(3-propan-2-yloxypropyl)-3-thiophen-3-ylisoquinolin-7-yl] cyclopentanecarboxylate Traditional Name: cyclopentanecarboxylic acid [2-(3-isopropoxypropyl)-6,8-diketo-7-methyl-3-(3-thienyl)-7-isoquinolyl] ester Formula: C26H31NO5S MolecularWeight: 469.59304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCN1C=C2C(=CC(=O)C(C2=O)(C)OC(=O)C3CCCC3)C=C1C4=CSC=C4

Isomeric SMILES

CC(C)OCCCN1C=C2C(=CC(=O)C(C2=O)(C)OC(=O)C3CCCC3)C=C1C4=CSC=C4

InChI

InChI=1S/C26H31NO5S/c1-17(2)31-11-6-10-27-15-21-20(13-22(27)19-9-12-33-16-19)14-23(28)26(3,24(21)29)32-25(30)18-7-4-5-8-18/h9,12-18H,4-8,10-11H2,1-3H3