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

Systemtic Name: [3-(4-methoxy-4-oxidanylidene-butyl)-7-methyl-6,8-bis(oxidanylidene)-2-(2-pyridin-2-ylethyl)isoquinolin-7-yl] thiophene-2-carboxylate Openeye Name: [3-(4-methoxy-4-oxo-butyl)-7-methyl-6,8-dioxo-2-[2-(2-pyridyl)ethyl]-7-isoquinolyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [3-(4-methoxy-4-oxobutyl)-7-methyl-6,8-dioxo-2-[2-(2-pyridinyl)ethyl]-7-isoquinolinyl] ester IUPAC Name: [3-(4-methoxy-4-oxobutyl)-7-methyl-6,8-dioxo-2-(2-pyridin-2-ylethyl)isoquinolin-7-yl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [6,8-diketo-3-(4-keto-4-methoxy-butyl)-7-methyl-2-[2-(2-pyridyl)ethyl]-7-isoquinolyl] ester Formula: C27H26N2O6S MolecularWeight: 506.57014

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C=C2C=C(N(C=C2C1=O)CCC3=CC=CC=N3)CCCC(=O)OC)OC(=O)C4=CC=CS4

Isomeric SMILES

CC1(C(=O)C=C2C=C(N(C=C2C1=O)CCC3=CC=CC=N3)CCCC(=O)OC)OC(=O)C4=CC=CS4

InChI

InChI=1S/C27H26N2O6S/c1-27(35-26(33)22-9-6-14-36-22)23(30)16-18-15-20(8-5-10-24(31)34-2)29(17-21(18)25(27)32)13-11-19-7-3-4-12-28-19/h3-4,6-7,9,12,14-17H,5,8,10-11,13H2,1-2H3