4-(4-cyanophenyl)-2-ethyl-1,3-thiazole-5-carboxylic acid

Systemtic Name: 4-(4-cyanophenyl)-2-ethyl-1,3-thiazole-5-carboxylic acid Openeye Name: 4-(4-cyanophenyl)-2-ethyl-thiazole-5-carboxylic acid CAS Name: 4-(4-cyanophenyl)-2-ethyl-5-thiazolecarboxylic acid IUPAC Name: 4-(4-cyanophenyl)-2-ethyl-1,3-thiazole-5-carboxylic acid Traditional Name: 4-(4-cyanophenyl)-2-ethyl-thiazole-5-carboxylic acid Formula: C13H10N2O2S MolecularWeight: 258.2957

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(S1)C(=O)O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCC1=NC(=C(S1)C(=O)O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C13H10N2O2S/c1-2-10-15-11(12(18-10)13(16)17)9-5-3-8(7-14)4-6-9/h3-6H,2H2,1H3,(H,16,17)