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

Systemtic Name: [2-(3-cyanophenyl)-3-(4-methoxy-4-oxidanylidene-butyl)-7-methyl-6,8-bis(oxidanylidene)isoquinolin-7-yl] thiophene-2-carboxylate Openeye Name: [2-(3-cyanophenyl)-3-(4-methoxy-4-oxo-butyl)-7-methyl-6,8-dioxo-7-isoquinolyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [2-(3-cyanophenyl)-3-(4-methoxy-4-oxobutyl)-7-methyl-6,8-dioxo-7-isoquinolinyl] ester IUPAC Name: [2-(3-cyanophenyl)-3-(4-methoxy-4-oxobutyl)-7-methyl-6,8-dioxoisoquinolin-7-yl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [2-(3-cyanophenyl)-6,8-diketo-3-(4-keto-4-methoxy-butyl)-7-methyl-7-isoquinolyl] ester Formula: C27H22N2O6S MolecularWeight: 502.53838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H22N2O6S/c1-27(35-26(33)22-9-5-11-36-22)23(30)14-18-13-20(8-4-10-24(31)34-2)29(16-21(18)25(27)32)19-7-3-6-17(12-19)15-28/h3,5-7,9,11-14,16H,4,8,10H2,1-2H3