4-(1,2-oxazol-5-ylmethylsulfanyl)benzoate

Systemtic Name: 4-(1,2-oxazol-5-ylmethylsulfanyl)benzoate Openeye Name: 4-(isoxazol-5-ylmethylsulfanyl)benzoate CAS Name: 4-(5-isoxazolylmethylthio)benzoate IUPAC Name: 4-(1,2-oxazol-5-ylmethylsulfanyl)benzoate Traditional Name: 4-(isoxazol-5-ylmethylthio)benzoate Formula: C11H8NO3S- MolecularWeight: 234.25112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])SCC2=CC=NO2

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])SCC2=CC=NO2

InChI

InChI=1S/C11H9NO3S/c13-11(14)8-1-3-10(4-2-8)16-7-9-5-6-12-15-9/h1-6H,7H2,(H,13,14)/p-1