3-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]propanoic acid

Systemtic Name: 3-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]propanoic acid Openeye Name: 3-[(3-methylisoxazol-5-yl)methylsulfanyl]propanoic acid CAS Name: 3-[(3-methyl-5-isoxazolyl)methylthio]propanoic acid IUPAC Name: 3-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]propanoic acid Traditional Name: 3-[(3-methylisoxazol-5-yl)methylthio]propionic acid Formula: C8H11NO3S MolecularWeight: 201.24284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)CSCCC(=O)O

Isomeric SMILES

CC1=NOC(=C1)CSCCC(=O)O

InChI

InChI=1S/C8H11NO3S/c1-6-4-7(12-9-6)5-13-3-2-8(10)11/h4H,2-3,5H2,1H3,(H,10,11)