5-[[3-(trifluoromethyl)phenyl]methylsulfanylmethyl]-1,2-oxazole-3-carboxylic acid

Systemtic Name: 5-[[3-(trifluoromethyl)phenyl]methylsulfanylmethyl]-1,2-oxazole-3-carboxylic acid Openeye Name: 5-[[3-(trifluoromethyl)phenyl]methylsulfanylmethyl]isoxazole-3-carboxylic acid CAS Name: 5-[[[3-(trifluoromethyl)phenyl]methylthio]methyl]-3-isoxazolecarboxylic acid IUPAC Name: 5-[[3-(trifluoromethyl)phenyl]methylsulfanylmethyl]-1,2-oxazole-3-carboxylic acid Traditional Name: 5-[[[3-(trifluoromethyl)benzyl]thio]methyl]isoxazole-3-carboxylic acid Formula: C13H10F3NO3S MolecularWeight: 317.28361

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)CSCC2=CC(=NO2)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)CSCC2=CC(=NO2)C(=O)O

InChI

InChI=1S/C13H10F3NO3S/c14-13(15,16)9-3-1-2-8(4-9)6-21-7-10-5-11(12(18)19)17-20-10/h1-5H,6-7H2,(H,18,19)