4-[(4-oxidanylidenecinnolin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid

Systemtic Name: 4-[(4-oxidanylidenecinnolin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid Openeye Name: 4-[(4-oxocinnolin-1-yl)methyl]thiazole-2-carboxylic acid CAS Name: 4-[(4-oxo-1-cinnolinyl)methyl]-2-thiazolecarboxylic acid IUPAC Name: 4-[(4-oxocinnolin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid Traditional Name: 4-[(4-ketocinnolin-1-yl)methyl]thiazole-2-carboxylic acid Formula: C13H9N3O3S MolecularWeight: 287.29386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C=NN2CC3=CSC(=N3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C=NN2CC3=CSC(=N3)C(=O)O

InChI

InChI=1S/C13H9N3O3S/c17-11-5-14-16(10-4-2-1-3-9(10)11)6-8-7-20-12(15-8)13(18)19/h1-5,7H,6H2,(H,18,19)