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

Systemtic Name: [2-(cyclopropylmethyl)-3-(4-methoxy-4-oxidanylidene-butyl)-7-methyl-6,8-bis(oxidanylidene)isoquinolin-7-yl] thiophene-2-carboxylate Openeye Name: [2-(cyclopropylmethyl)-3-(4-methoxy-4-oxo-butyl)-7-methyl-6,8-dioxo-7-isoquinolyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [2-(cyclopropylmethyl)-3-(4-methoxy-4-oxobutyl)-7-methyl-6,8-dioxo-7-isoquinolinyl] ester IUPAC Name: [2-(cyclopropylmethyl)-3-(4-methoxy-4-oxobutyl)-7-methyl-6,8-dioxoisoquinolin-7-yl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [2-(cyclopropylmethyl)-6,8-diketo-3-(4-keto-4-methoxy-butyl)-7-methyl-7-isoquinolyl] ester Formula: C24H25NO6S MolecularWeight: 455.5234

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C=C2C=C(N(C=C2C1=O)CC3CC3)CCCC(=O)OC)OC(=O)C4=CC=CS4

Isomeric SMILES

CC1(C(=O)C=C2C=C(N(C=C2C1=O)CC3CC3)CCCC(=O)OC)OC(=O)C4=CC=CS4

InChI

InChI=1S/C24H25NO6S/c1-24(31-23(29)19-6-4-10-32-19)20(26)12-16-11-17(5-3-7-21(27)30-2)25(13-15-8-9-15)14-18(16)22(24)28/h4,6,10-12,14-15H,3,5,7-9,13H2,1-2H3