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

Systemtic Name: 2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]propanoic acid Openeye Name: 2-[[5-(2-thienyl)isoxazol-3-yl]methylsulfanyl]propanoic acid CAS Name: 2-[(5-thiophen-2-yl-3-isoxazolyl)methylthio]propanoic acid IUPAC Name: 2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]propanoic acid Traditional Name: 2-[[5-(2-thienyl)isoxazol-3-yl]methylthio]propionic acid Formula: C11H11NO3S2 MolecularWeight: 269.33994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC1=NOC(=C1)C2=CC=CS2

Isomeric SMILES

CC(C(=O)O)SCC1=NOC(=C1)C2=CC=CS2

InChI

InChI=1S/C11H11NO3S2/c1-7(11(13)14)17-6-8-5-9(15-12-8)10-3-2-4-16-10/h2-5,7H,6H2,1H3,(H,13,14)