methyl 2-[[2-[bis(fluoranyl)methylsulfanyl]phenyl]carbonyl-methyl-amino]ethanoate

Systemtic Name: methyl 2-[[2-[bis(fluoranyl)methylsulfanyl]phenyl]carbonyl-methyl-amino]ethanoate Openeye Name: methyl 2-[[2-(difluoromethylsulfanyl)benzoyl]-methyl-amino]acetate CAS Name: 2-[[[2-(difluoromethylthio)phenyl]-oxomethyl]-methylamino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-(difluoromethylsulfanyl)benzoyl]-methylamino]acetate Traditional Name: 2-[[2-(difluoromethylthio)benzoyl]-methyl-amino]acetic acid methyl ester Formula: C12H13F2NO3S MolecularWeight: 289.298326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)OC)C(=O)C1=CC=CC=C1SC(F)F

Isomeric SMILES

CN(CC(=O)OC)C(=O)C1=CC=CC=C1SC(F)F

InChI

InChI=1S/C12H13F2NO3S/c1-15(7-10(16)18-2)11(17)8-5-3-4-6-9(8)19-12(13)14/h3-6,12H,7H2,1-2H3