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

Systemtic Name: [3-(4-methoxy-4-oxidanylidene-butyl)-7-methyl-6,8-bis(oxidanylidene)-2-(phenylmethyl)isoquinolin-7-yl] thiophene-2-carboxylate Openeye Name: [2-benzyl-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-(phenylmethyl)-7-isoquinolinyl] ester IUPAC Name: [2-benzyl-3-(4-methoxy-4-oxobutyl)-7-methyl-6,8-dioxoisoquinolin-7-yl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [2-benzyl-6,8-diketo-3-(4-keto-4-methoxy-butyl)-7-methyl-7-isoquinolyl] ester Formula: C27H25NO6S MolecularWeight: 491.5555

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C=C2C=C(N(C=C2C1=O)CC3=CC=CC=C3)CCCC(=O)OC)OC(=O)C4=CC=CS4

Isomeric SMILES

CC1(C(=O)C=C2C=C(N(C=C2C1=O)CC3=CC=CC=C3)CCCC(=O)OC)OC(=O)C4=CC=CS4

InChI

InChI=1S/C27H25NO6S/c1-27(34-26(32)22-11-7-13-35-22)23(29)15-19-14-20(10-6-12-24(30)33-2)28(17-21(19)25(27)31)16-18-8-4-3-5-9-18/h3-5,7-9,11,13-15,17H,6,10,12,16H2,1-2H3