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

Systemtic Name: [3-[(1-oxidanylidene-2H-isoquinolin-4-yl)methyl]phenyl] 2-phenyl-1,3-thiazole-4-carboxylate Openeye Name: [3-[(1-oxo-2H-isoquinolin-4-yl)methyl]phenyl] 2-phenylthiazole-4-carboxylate CAS Name: 2-phenyl-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-phenyl-1,3-thiazole-4-carboxylate Traditional Name: 2-phenylthiazole-4-carboxylic acid [3-[(1-keto-2H-isoquinolin-4-yl)methyl]phenyl] ester Formula: C26H18N2O3S MolecularWeight: 438.49772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=CS2)C(=O)OC3=CC=CC(=C3)CC4=CNC(=O)C5=CC=CC=C54

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=CS2)C(=O)OC3=CC=CC(=C3)CC4=CNC(=O)C5=CC=CC=C54

InChI

InChI=1S/C26H18N2O3S/c29-24-22-12-5-4-11-21(22)19(15-27-24)13-17-7-6-10-20(14-17)31-26(30)23-16-32-25(28-23)18-8-2-1-3-9-18/h1-12,14-16H,13H2,(H,27,29)