2-(2-phenylethynyl)-1,3-thiazole-4-carboxylic acid

Systemtic Name: 2-(2-phenylethynyl)-1,3-thiazole-4-carboxylic acid Openeye Name: 2-(2-phenylethynyl)thiazole-4-carboxylic acid CAS Name: 2-(2-phenylethynyl)-4-thiazolecarboxylic acid IUPAC Name: 2-(2-phenylethynyl)-1,3-thiazole-4-carboxylic acid Traditional Name: 2-(2-phenylethynyl)thiazole-4-carboxylic acid Formula: C12H7NO2S MolecularWeight: 229.25448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=NC(=CS2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=NC(=CS2)C(=O)O

InChI

InChI=1S/C12H7NO2S/c14-12(15)10-8-16-11(13-10)7-6-9-4-2-1-3-5-9/h1-5,8H,(H,14,15)