methyl 3-[3-(trifluoromethyl)phenyl]sulfanylpropanoate

Systemtic Name: methyl 3-[3-(trifluoromethyl)phenyl]sulfanylpropanoate Openeye Name: methyl 3-[3-(trifluoromethyl)phenyl]sulfanylpropanoate CAS Name: 3-[[3-(trifluoromethyl)phenyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[3-(trifluoromethyl)phenyl]sulfanylpropanoate Traditional Name: 3-[[3-(trifluoromethyl)phenyl]thio]propionic acid methyl ester Formula: C11H11F3O2S MolecularWeight: 264.26405

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=CC=CC(=C1)C(F)(F)F

Isomeric SMILES

COC(=O)CCSC1=CC=CC(=C1)C(F)(F)F

InChI

InChI=1S/C11H11F3O2S/c1-16-10(15)5-6-17-9-4-2-3-8(7-9)11(12,13)14/h2-4,7H,5-6H2,1H3