methyl 3-[[3-(trifluoromethyl)phenyl]carbamothioylsulfanyl]propanoate

Systemtic Name: methyl 3-[[3-(trifluoromethyl)phenyl]carbamothioylsulfanyl]propanoate Openeye Name: methyl 3-[[3-(trifluoromethyl)phenyl]carbamothioylsulfanyl]propanoate CAS Name: 3-[[sulfanylidene-[3-(trifluoromethyl)anilino]methyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[[3-(trifluoromethyl)phenyl]carbamothioylsulfanyl]propanoate Traditional Name: 3-[[3-(trifluoromethyl)phenyl]thiocarbamoylthio]propionic acid methyl ester Formula: C12H12F3NO2S2 MolecularWeight: 323.35439

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC(=S)NC1=CC=CC(=C1)C(F)(F)F

Isomeric SMILES

COC(=O)CCSC(=S)NC1=CC=CC(=C1)C(F)(F)F

InChI

InChI=1S/C12H12F3NO2S2/c1-18-10(17)5-6-20-11(19)16-9-4-2-3-8(7-9)12(13,14)15/h2-4,7H,5-6H2,1H3,(H,16,19)