3-(3-propan-2-ylphenyl)-1,2-thiazole-4-carboxylic acid

Systemtic Name: 3-(3-propan-2-ylphenyl)-1,2-thiazole-4-carboxylic acid Openeye Name: 3-(3-isopropylphenyl)isothiazole-4-carboxylic acid CAS Name: 3-(3-propan-2-ylphenyl)-4-isothiazolecarboxylic acid IUPAC Name: 3-(3-propan-2-ylphenyl)-1,2-thiazole-4-carboxylic acid Traditional Name: 3-m-cumenylisothiazole-4-carboxylic acid Formula: C13H13NO2S MolecularWeight: 247.31282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC(=C1)C2=NSC=C2C(=O)O

Isomeric SMILES

CC(C)C1=CC=CC(=C1)C2=NSC=C2C(=O)O

InChI

InChI=1S/C13H13NO2S/c1-8(2)9-4-3-5-10(6-9)12-11(13(15)16)7-17-14-12/h3-8H,1-2H3,(H,15,16)