2-(5-cyanoisoquinolin-7-yl)-4-methyl-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-(5-cyanoisoquinolin-7-yl)-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-(5-cyano-7-isoquinolyl)-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-(5-cyano-7-isoquinolinyl)-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-(5-cyanoisoquinolin-7-yl)-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-(5-cyano-7-isoquinolyl)-4-methyl-thiazole-5-carboxylic acid Formula: C15H9N3O2S MolecularWeight: 295.31586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC3=C(C=CN=C3)C(=C2)C#N)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)C2=CC3=C(C=CN=C3)C(=C2)C#N)C(=O)O

InChI

InChI=1S/C15H9N3O2S/c1-8-13(15(19)20)21-14(18-8)9-4-10(6-16)12-2-3-17-7-11(12)5-9/h2-5,7H,1H3,(H,19,20)