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

Systemtic Name: 2-(cyanomethyl)-1,3-thiazole-4-carboxylic acid Openeye Name: 2-(cyanomethyl)thiazole-4-carboxylic acid CAS Name: 2-(cyanomethyl)-4-thiazolecarboxylic acid IUPAC Name: 2-(cyanomethyl)-1,3-thiazole-4-carboxylic acid Traditional Name: 2-(cyanomethyl)thiazole-4-carboxylic acid Formula: C6H4N2O2S MolecularWeight: 168.17316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(N=C(S1)CC#N)C(=O)O

Isomeric SMILES

C1=C(N=C(S1)CC#N)C(=O)O

InChI

InChI=1S/C6H4N2O2S/c7-2-1-5-8-4(3-11-5)6(9)10/h3H,1H2,(H,9,10)