2-oxidanyl-4-[4-(1,2-thiazol-3-yl)phenyl]butanoic acid

Systemtic Name: 2-oxidanyl-4-[4-(1,2-thiazol-3-yl)phenyl]butanoic acid Openeye Name: 2-hydroxy-4-(4-isothiazol-3-ylphenyl)butanoic acid CAS Name: 2-hydroxy-4-[4-(3-isothiazolyl)phenyl]butanoic acid IUPAC Name: 2-hydroxy-4-[4-(1,2-thiazol-3-yl)phenyl]butanoic acid Traditional Name: 2-hydroxy-4-(4-isothiazol-3-ylphenyl)butyric acid Formula: C13H13NO3S MolecularWeight: 263.31222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(C(=O)O)O)C2=NSC=C2

Isomeric SMILES

C1=CC(=CC=C1CCC(C(=O)O)O)C2=NSC=C2

InChI

InChI=1S/C13H13NO3S/c15-12(13(16)17)6-3-9-1-4-10(5-2-9)11-7-8-18-14-11/h1-2,4-5,7-8,12,15H,3,6H2,(H,16,17)