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

Systemtic Name: [2-(furan-2-ylmethyl)-3-(4-methoxy-4-oxidanylidene-butyl)-7-methyl-6,8-bis(oxidanylidene)isoquinolin-7-yl] thiophene-2-carboxylate Openeye Name: [2-(2-furylmethyl)-3-(4-methoxy-4-oxo-butyl)-7-methyl-6,8-dioxo-7-isoquinolyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [2-(2-furanylmethyl)-3-(4-methoxy-4-oxobutyl)-7-methyl-6,8-dioxo-7-isoquinolinyl] ester IUPAC Name: [2-(furan-2-ylmethyl)-3-(4-methoxy-4-oxobutyl)-7-methyl-6,8-dioxoisoquinolin-7-yl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [2-(2-furfuryl)-6,8-diketo-3-(4-keto-4-methoxy-butyl)-7-methyl-7-isoquinolyl] ester Formula: C25H23NO7S MolecularWeight: 481.51762

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C=C2C=C(N(C=C2C1=O)CC3=CC=CO3)CCCC(=O)OC)OC(=O)C4=CC=CS4

Isomeric SMILES

CC1(C(=O)C=C2C=C(N(C=C2C1=O)CC3=CC=CO3)CCCC(=O)OC)OC(=O)C4=CC=CS4

InChI

InChI=1S/C25H23NO7S/c1-25(33-24(30)20-8-5-11-34-20)21(27)13-16-12-17(6-3-9-22(28)31-2)26(15-19(16)23(25)29)14-18-7-4-10-32-18/h4-5,7-8,10-13,15H,3,6,9,14H2,1-2H3