3-[5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]propanoic acid

Systemtic Name: 3-[5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]propanoic acid Openeye Name: 3-[5-(4-methylsulfonylphenyl)oxazol-2-yl]propanoic acid CAS Name: 3-[5-(4-methylsulfonylphenyl)-2-oxazolyl]propanoic acid IUPAC Name: 3-[5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]propanoic acid Traditional Name: 3-[5-(4-mesylphenyl)oxazol-2-yl]propionic acid Formula: C13H13NO5S MolecularWeight: 295.31102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(O2)CCC(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(O2)CCC(=O)O

InChI

InChI=1S/C13H13NO5S/c1-20(17,18)10-4-2-9(3-5-10)11-8-14-12(19-11)6-7-13(15)16/h2-5,8H,6-7H2,1H3,(H,15,16)