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

Systemtic Name: [3-(4-methoxy-4-oxidanylidene-butyl)-7-methyl-2-(4-oxidanylbutyl)-6,8-bis(oxidanylidene)isoquinolin-7-yl] thiophene-2-carboxylate Openeye Name: [2-(4-hydroxybutyl)-3-(4-methoxy-4-oxo-butyl)-7-methyl-6,8-dioxo-7-isoquinolyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [2-(4-hydroxybutyl)-3-(4-methoxy-4-oxobutyl)-7-methyl-6,8-dioxo-7-isoquinolinyl] ester IUPAC Name: [2-(4-hydroxybutyl)-3-(4-methoxy-4-oxobutyl)-7-methyl-6,8-dioxoisoquinolin-7-yl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [2-(4-hydroxybutyl)-6,8-diketo-3-(4-keto-4-methoxy-butyl)-7-methyl-7-isoquinolyl] ester Formula: C24H27NO7S MolecularWeight: 473.53868

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C=C2C=C(N(C=C2C1=O)CCCCO)CCCC(=O)OC)OC(=O)C3=CC=CS3

Isomeric SMILES

CC1(C(=O)C=C2C=C(N(C=C2C1=O)CCCCO)CCCC(=O)OC)OC(=O)C3=CC=CS3

InChI

InChI=1S/C24H27NO7S/c1-24(32-23(30)19-8-6-12-33-19)20(27)14-16-13-17(7-5-9-21(28)31-2)25(10-3-4-11-26)15-18(16)22(24)29/h6,8,12-15,26H,3-5,7,9-11H2,1-2H3