3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]-4-fluoranyl-benzoic acid

Systemtic Name: 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]-4-fluoranyl-benzoic acid Openeye Name: 3-[(3,5-dimethylisoxazol-4-yl)methylsulfonyl]-4-fluoro-benzoic acid CAS Name: 3-[(3,5-dimethyl-4-isoxazolyl)methylsulfonyl]-4-fluorobenzoic acid IUPAC Name: 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]-4-fluorobenzoic acid Traditional Name: 3-[(3,5-dimethylisoxazol-4-yl)methylsulfonyl]-4-fluoro-benzoic acid Formula: C13H12FNO5S MolecularWeight: 313.301483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)F

Isomeric SMILES

CC1=C(C(=NO1)C)CS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)F

InChI

InChI=1S/C13H12FNO5S/c1-7-10(8(2)20-15-7)6-21(18,19)12-5-9(13(16)17)3-4-11(12)14/h3-5H,6H2,1-2H3,(H,16,17)