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

Systemtic Name: [3-(4-methoxy-4-oxidanylidene-butyl)-7-methyl-6,8-bis(oxidanylidene)-2-phenyl-isoquinolin-7-yl] thiophene-2-carboxylate Openeye Name: [3-(4-methoxy-4-oxo-butyl)-7-methyl-6,8-dioxo-2-phenyl-7-isoquinolyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [3-(4-methoxy-4-oxobutyl)-7-methyl-6,8-dioxo-2-phenyl-7-isoquinolinyl] ester IUPAC Name: [3-(4-methoxy-4-oxobutyl)-7-methyl-6,8-dioxo-2-phenylisoquinolin-7-yl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [6,8-diketo-3-(4-keto-4-methoxy-butyl)-7-methyl-2-phenyl-7-isoquinolyl] ester Formula: C26H23NO6S MolecularWeight: 477.52892

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C=C2C=C(N(C=C2C1=O)C3=CC=CC=C3)CCCC(=O)OC)OC(=O)C4=CC=CS4

Isomeric SMILES

CC1(C(=O)C=C2C=C(N(C=C2C1=O)C3=CC=CC=C3)CCCC(=O)OC)OC(=O)C4=CC=CS4

InChI

InChI=1S/C26H23NO6S/c1-26(33-25(31)21-11-7-13-34-21)22(28)15-17-14-19(10-6-12-23(29)32-2)27(16-20(17)24(26)30)18-8-4-3-5-9-18/h3-5,7-9,11,13-16H,6,10,12H2,1-2H3