2-[(4-isoquinolin-5-ylphenoxy)methyl]-1,3-thiazole-4-carboxylic acid

Systemtic Name: 2-[(4-isoquinolin-5-ylphenoxy)methyl]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[[4-(5-isoquinolyl)phenoxy]methyl]thiazole-4-carboxylic acid CAS Name: 2-[[4-(5-isoquinolinyl)phenoxy]methyl]-4-thiazolecarboxylic acid IUPAC Name: 2-[(4-isoquinolin-5-ylphenoxy)methyl]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[[4-(5-isoquinolyl)phenoxy]methyl]thiazole-4-carboxylic acid Formula: C20H14N2O3S MolecularWeight: 362.40176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)C3=CC=C(C=C3)OCC4=NC(=CS4)C(=O)O

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)C3=CC=C(C=C3)OCC4=NC(=CS4)C(=O)O

InChI

InChI=1S/C20H14N2O3S/c23-20(24)18-12-26-19(22-18)11-25-15-6-4-13(5-7-15)16-3-1-2-14-10-21-9-8-17(14)16/h1-10,12H,11H2,(H,23,24)