[3-[(1-oxidanylidene-2H-isoquinolin-4-yl)methyl]phenyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate

Systemtic Name: [3-[(1-oxidanylidene-2H-isoquinolin-4-yl)methyl]phenyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate Openeye Name: [3-[(1-oxo-2H-isoquinolin-4-yl)methyl]phenyl] 2-(2-thienyl)thiazole-4-carboxylate CAS Name: 2-thiophen-2-yl-4-thiazolecarboxylic acid [3-[(1-oxo-2H-isoquinolin-4-yl)methyl]phenyl] ester IUPAC Name: [3-[(1-oxo-2H-isoquinolin-4-yl)methyl]phenyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate Traditional Name: 2-(2-thienyl)thiazole-4-carboxylic acid [3-[(1-keto-2H-isoquinolin-4-yl)methyl]phenyl] ester Formula: C24H16N2O3S2 MolecularWeight: 444.52544

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CNC2=O)CC3=CC(=CC=C3)OC(=O)C4=CSC(=N4)C5=CC=CS5

Isomeric SMILES

C1=CC=C2C(=C1)C(=CNC2=O)CC3=CC(=CC=C3)OC(=O)C4=CSC(=N4)C5=CC=CS5

InChI

InChI=1S/C24H16N2O3S2/c27-22-19-8-2-1-7-18(19)16(13-25-22)11-15-5-3-6-17(12-15)29-24(28)20-14-31-23(26-20)21-9-4-10-30-21/h1-10,12-14H,11H2,(H,25,27)