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

Systemtic Name: [3-(4-methoxy-4-oxidanylidene-butyl)-2-(4-methoxyphenyl)-7-methyl-6,8-bis(oxidanylidene)isoquinolin-7-yl] thiophene-2-carboxylate Openeye Name: [3-(4-methoxy-4-oxo-butyl)-2-(4-methoxyphenyl)-7-methyl-6,8-dioxo-7-isoquinolyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [3-(4-methoxy-4-oxobutyl)-2-(4-methoxyphenyl)-7-methyl-6,8-dioxo-7-isoquinolinyl] ester IUPAC Name: [3-(4-methoxy-4-oxobutyl)-2-(4-methoxyphenyl)-7-methyl-6,8-dioxoisoquinolin-7-yl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [6,8-diketo-3-(4-keto-4-methoxy-butyl)-2-(4-methoxyphenyl)-7-methyl-7-isoquinolyl] ester Formula: C27H25NO7S MolecularWeight: 507.5549

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25NO7S/c1-27(35-26(32)22-7-5-13-36-22)23(29)15-17-14-19(6-4-8-24(30)34-3)28(16-21(17)25(27)31)18-9-11-20(33-2)12-10-18/h5,7,9-16H,4,6,8H2,1-3H3