[2-cyclopentyl-3-(4-methoxy-4-oxidanylidene-butyl)-7-methyl-6,8-bis(oxidanylidene)isoquinolin-7-yl] thiophene-2-carboxylate

Systemtic Name: [2-cyclopentyl-3-(4-methoxy-4-oxidanylidene-butyl)-7-methyl-6,8-bis(oxidanylidene)isoquinolin-7-yl] thiophene-2-carboxylate Openeye Name: [2-cyclopentyl-3-(4-methoxy-4-oxo-butyl)-7-methyl-6,8-dioxo-7-isoquinolyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [2-cyclopentyl-3-(4-methoxy-4-oxobutyl)-7-methyl-6,8-dioxo-7-isoquinolinyl] ester IUPAC Name: [2-cyclopentyl-3-(4-methoxy-4-oxobutyl)-7-methyl-6,8-dioxoisoquinolin-7-yl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [2-cyclopentyl-6,8-diketo-3-(4-keto-4-methoxy-butyl)-7-methyl-7-isoquinolyl] ester Formula: C25H27NO6S MolecularWeight: 469.54998

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C=C2C=C(N(C=C2C1=O)C3CCCC3)CCCC(=O)OC)OC(=O)C4=CC=CS4

Isomeric SMILES

CC1(C(=O)C=C2C=C(N(C=C2C1=O)C3CCCC3)CCCC(=O)OC)OC(=O)C4=CC=CS4

InChI

InChI=1S/C25H27NO6S/c1-25(32-24(30)20-10-6-12-33-20)21(27)14-16-13-18(9-5-11-22(28)31-2)26(15-19(16)23(25)29)17-7-3-4-8-17/h6,10,12-15,17H,3-5,7-9,11H2,1-2H3