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

Systemtic Name: 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]phenyl]ethanoic acid Openeye Name: 2-[4-[(3,5-dimethylisoxazol-4-yl)methylsulfonyl]phenyl]acetic acid CAS Name: 2-[4-[(3,5-dimethyl-4-isoxazolyl)methylsulfonyl]phenyl]acetic acid IUPAC Name: 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]phenyl]acetic acid Traditional Name: 2-[4-[(3,5-dimethylisoxazol-4-yl)methylsulfonyl]phenyl]acetic acid Formula: C14H15NO5S MolecularWeight: 309.3376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15NO5S/c1-9-13(10(2)20-15-9)8-21(18,19)12-5-3-11(4-6-12)7-14(16)17/h3-6H,7-8H2,1-2H3,(H,16,17)