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

Systemtic Name: 3-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]propanoic acid Openeye Name: 3-[(5-phenylisoxazol-3-yl)methylsulfanyl]propanoic acid CAS Name: 3-[(5-phenyl-3-isoxazolyl)methylthio]propanoic acid IUPAC Name: 3-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]propanoic acid Traditional Name: 3-[(5-phenylisoxazol-3-yl)methylthio]propionic acid Formula: C13H13NO3S MolecularWeight: 263.31222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NO2)CSCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NO2)CSCCC(=O)O

InChI

InChI=1S/C13H13NO3S/c15-13(16)6-7-18-9-11-8-12(17-14-11)10-4-2-1-3-5-10/h1-5,8H,6-7,9H2,(H,15,16)