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

Systemtic Name: [3-(4-methoxy-4-oxidanylidene-butyl)-7-methyl-2-(2-methylpropyl)-6,8-bis(oxidanylidene)isoquinolin-7-yl] thiophene-2-carboxylate Openeye Name: [2-isobutyl-3-(4-methoxy-4-oxo-butyl)-7-methyl-6,8-dioxo-7-isoquinolyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [3-(4-methoxy-4-oxobutyl)-7-methyl-2-(2-methylpropyl)-6,8-dioxo-7-isoquinolinyl] ester IUPAC Name: [3-(4-methoxy-4-oxobutyl)-7-methyl-2-(2-methylpropyl)-6,8-dioxoisoquinolin-7-yl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [2-isobutyl-6,8-diketo-3-(4-keto-4-methoxy-butyl)-7-methyl-7-isoquinolyl] ester Formula: C24H27NO6S MolecularWeight: 457.53928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=C2C(=CC(=O)C(C2=O)(C)OC(=O)C3=CC=CS3)C=C1CCCC(=O)OC

Isomeric SMILES

CC(C)CN1C=C2C(=CC(=O)C(C2=O)(C)OC(=O)C3=CC=CS3)C=C1CCCC(=O)OC

InChI

InChI=1S/C24H27NO6S/c1-15(2)13-25-14-18-16(11-17(25)7-5-9-21(27)30-4)12-20(26)24(3,22(18)28)31-23(29)19-8-6-10-32-19/h6,8,10-12,14-15H,5,7,9,13H2,1-4H3