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

Systemtic Name: [3-(4-methoxy-4-oxidanylidene-butyl)-7-methyl-6,8-bis(oxidanylidene)-2-prop-2-enyl-isoquinolin-7-yl] thiophene-2-carboxylate Openeye Name: [2-allyl-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-prop-2-enyl-7-isoquinolinyl] ester IUPAC Name: [3-(4-methoxy-4-oxobutyl)-7-methyl-6,8-dioxo-2-prop-2-enylisoquinolin-7-yl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [2-allyl-6,8-diketo-3-(4-keto-4-methoxy-butyl)-7-methyl-7-isoquinolyl] ester Formula: C23H23NO6S MolecularWeight: 441.49682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23NO6S/c1-4-10-24-14-17-15(12-16(24)7-5-9-20(26)29-3)13-19(25)23(2,21(17)27)30-22(28)18-8-6-11-31-18/h4,6,8,11-14H,1,5,7,9-10H2,2-3H3