3-[(3-propan-2-yl-1,2-oxazol-5-yl)methylsulfonyl]propanoic acid

Systemtic Name: 3-[(3-propan-2-yl-1,2-oxazol-5-yl)methylsulfonyl]propanoic acid Openeye Name: 3-[(3-isopropylisoxazol-5-yl)methylsulfonyl]propanoic acid CAS Name: 3-[(3-propan-2-yl-5-isoxazolyl)methylsulfonyl]propanoic acid IUPAC Name: 3-[(3-propan-2-yl-1,2-oxazol-5-yl)methylsulfonyl]propanoic acid Traditional Name: 3-[(3-isopropylisoxazol-5-yl)methylsulfonyl]propionic acid Formula: C10H15NO5S MolecularWeight: 261.2948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NOC(=C1)CS(=O)(=O)CCC(=O)O

Isomeric SMILES

CC(C)C1=NOC(=C1)CS(=O)(=O)CCC(=O)O

InChI

InChI=1S/C10H15NO5S/c1-7(2)9-5-8(16-11-9)6-17(14,15)4-3-10(12)13/h5,7H,3-4,6H2,1-2H3,(H,12,13)