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

Systemtic Name: [7-methyl-6,8-bis(oxidanylidene)-2-prop-2-enyl-3-thiophen-3-yl-isoquinolin-7-yl] cyclopentanecarboxylate Openeye Name: [2-allyl-7-methyl-6,8-dioxo-3-(3-thienyl)-7-isoquinolyl] cyclopentanecarboxylate CAS Name: cyclopentanecarboxylic acid [7-methyl-6,8-dioxo-2-prop-2-enyl-3-(3-thiophenyl)-7-isoquinolinyl] ester IUPAC Name: (7-methyl-6,8-dioxo-2-prop-2-enyl-3-thiophen-3-ylisoquinolin-7-yl) cyclopentanecarboxylate Traditional Name: cyclopentanecarboxylic acid [2-allyl-6,8-diketo-7-methyl-3-(3-thienyl)-7-isoquinolyl] ester Formula: C23H23NO4S MolecularWeight: 409.49802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23NO4S/c1-3-9-24-13-18-17(11-19(24)16-8-10-29-14-16)12-20(25)23(2,21(18)26)28-22(27)15-6-4-5-7-15/h3,8,10-15H,1,4-7,9H2,2H3