methyl 3-azanyl-3-[4-(trifluoromethylsulfanyl)phenyl]propanoate

Systemtic Name: methyl 3-azanyl-3-[4-(trifluoromethylsulfanyl)phenyl]propanoate Openeye Name: methyl 3-amino-3-[4-(trifluoromethylsulfanyl)phenyl]propanoate CAS Name: 3-amino-3-[4-(trifluoromethylthio)phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-amino-3-[4-(trifluoromethylsulfanyl)phenyl]propanoate Traditional Name: 3-amino-3-[4-(trifluoromethylthio)phenyl]propionic acid methyl ester Formula: C11H12F3NO2S MolecularWeight: 279.27869

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=C(C=C1)SC(F)(F)F)N

Isomeric SMILES

COC(=O)CC(C1=CC=C(C=C1)SC(F)(F)F)N

InChI

InChI=1S/C11H12F3NO2S/c1-17-10(16)6-9(15)7-2-4-8(5-3-7)18-11(12,13)14/h2-5,9H,6,15H2,1H3