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

Systemtic Name: [3-(4-methoxy-4-oxidanylidene-butyl)-7-methyl-6,8-bis(oxidanylidene)-2-(3-propan-2-yloxypropyl)isoquinolin-7-yl] thiophene-2-carboxylate Openeye Name: [2-(3-isopropoxypropyl)-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-6,8-dioxo-2-(3-propan-2-yloxypropyl)-7-isoquinolinyl] ester IUPAC Name: [3-(4-methoxy-4-oxobutyl)-7-methyl-6,8-dioxo-2-(3-propan-2-yloxypropyl)isoquinolin-7-yl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [2-(3-isopropoxypropyl)-6,8-diketo-3-(4-keto-4-methoxy-butyl)-7-methyl-7-isoquinolyl] ester Formula: C26H31NO7S MolecularWeight: 501.59184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCN1C=C2C(=CC(=O)C(C2=O)(C)OC(=O)C3=CC=CS3)C=C1CCCC(=O)OC

Isomeric SMILES

CC(C)OCCCN1C=C2C(=CC(=O)C(C2=O)(C)OC(=O)C3=CC=CS3)C=C1CCCC(=O)OC

InChI

InChI=1S/C26H31NO7S/c1-17(2)33-12-7-11-27-16-20-18(14-19(27)8-5-10-23(29)32-4)15-22(28)26(3,24(20)30)34-25(31)21-9-6-13-35-21/h6,9,13-17H,5,7-8,10-12H2,1-4H3