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

Systemtic Name: [2-(3-cyanophenyl)-7-methyl-6,8-bis(oxidanylidene)-3-thiophen-3-yl-isoquinolin-7-yl] cyclopentanecarboxylate Openeye Name: [2-(3-cyanophenyl)-7-methyl-6,8-dioxo-3-(3-thienyl)-7-isoquinolyl] cyclopentanecarboxylate CAS Name: cyclopentanecarboxylic acid [2-(3-cyanophenyl)-7-methyl-6,8-dioxo-3-(3-thiophenyl)-7-isoquinolinyl] ester IUPAC Name: [2-(3-cyanophenyl)-7-methyl-6,8-dioxo-3-thiophen-3-ylisoquinolin-7-yl] cyclopentanecarboxylate Traditional Name: cyclopentanecarboxylic acid [2-(3-cyanophenyl)-6,8-diketo-7-methyl-3-(3-thienyl)-7-isoquinolyl] ester Formula: C27H22N2O4S MolecularWeight: 470.53958

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C=C2C=C(N(C=C2C1=O)C3=CC=CC(=C3)C#N)C4=CSC=C4)OC(=O)C5CCCC5

Isomeric SMILES

CC1(C(=O)C=C2C=C(N(C=C2C1=O)C3=CC=CC(=C3)C#N)C4=CSC=C4)OC(=O)C5CCCC5

InChI

InChI=1S/C27H22N2O4S/c1-27(33-26(32)18-6-2-3-7-18)24(30)13-20-12-23(19-9-10-34-16-19)29(15-22(20)25(27)31)21-8-4-5-17(11-21)14-28/h4-5,8-13,15-16,18H,2-3,6-7H2,1H3