2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoate

Systemtic Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoate Openeye Name: 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]benzoate CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]benzoate IUPAC Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoate Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]benzoate Formula: C13H12NO3S- MolecularWeight: 262.30428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=CC=CC=C2C(=O)[O-]

InChI

InChI=1S/C13H13NO3S/c1-8-11(9(2)17-14-8)7-18-12-6-4-3-5-10(12)13(15)16/h3-6H,7H2,1-2H3,(H,15,16)/p-1