[3-[(1-oxidanylidene-2H-isoquinolin-4-yl)methyl]phenyl] 2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: [3-[(1-oxidanylidene-2H-isoquinolin-4-yl)methyl]phenyl] 2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: [3-[(1-oxo-2H-isoquinolin-4-yl)methyl]phenyl] 2-(2,3-dihydrobenzofuran-5-yl)-4-methyl-thiazole-5-carboxylate CAS Name: 2-(2,3-dihydrobenzofuran-5-yl)-4-methyl-5-thiazolecarboxylic acid [3-[(1-oxo-2H-isoquinolin-4-yl)methyl]phenyl] ester IUPAC Name: [3-[(1-oxo-2H-isoquinolin-4-yl)methyl]phenyl] 2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-coumaran-5-yl-4-methyl-thiazole-5-carboxylic acid [3-[(1-keto-2H-isoquinolin-4-yl)methyl]phenyl] ester Formula: C29H22N2O4S MolecularWeight: 494.56098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC3=C(C=C2)OCC3)C(=O)OC4=CC=CC(=C4)CC5=CNC(=O)C6=CC=CC=C65

Isomeric SMILES

CC1=C(SC(=N1)C2=CC3=C(C=C2)OCC3)C(=O)OC4=CC=CC(=C4)CC5=CNC(=O)C6=CC=CC=C65

InChI

InChI=1S/C29H22N2O4S/c1-17-26(36-28(31-17)20-9-10-25-19(15-20)11-12-34-25)29(33)35-22-6-4-5-18(14-22)13-21-16-30-27(32)24-8-3-2-7-23(21)24/h2-10,14-16H,11-13H2,1H3,(H,30,32)