methyl (2S)-3-sulfanyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]propanoate

Systemtic Name: methyl (2S)-3-sulfanyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]propanoate Openeye Name: methyl (2S)-3-sulfanyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate CAS Name: (2S)-3-mercapto-2-[(2,2,2-trifluoro-1-oxoethyl)amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-sulfanyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate Traditional Name: (2S)-3-mercapto-2-[(2,2,2-trifluoroacetyl)amino]propionic acid methyl ester Formula: C6H8F3NO3S MolecularWeight: 231.19283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CS)NC(=O)C(F)(F)F

Isomeric SMILES

COC(=O)[C@@H](CS)NC(=O)C(F)(F)F

InChI

InChI=1S/C6H8F3NO3S/c1-13-4(11)3(2-14)10-5(12)6(7,8)9/h3,14H,2H2,1H3,(H,10,12)/t3-/m1/s1