ethyl (2S)-2-(2-cyanoethanoylamino)-3,3,3-tris(fluoranyl)-2-oxidanyl-propanoate

Systemtic Name: ethyl (2S)-2-(2-cyanoethanoylamino)-3,3,3-tris(fluoranyl)-2-oxidanyl-propanoate Openeye Name: ethyl (2S)-2-[(2-cyanoacetyl)amino]-3,3,3-trifluoro-2-hydroxy-propanoate CAS Name: (2S)-2-[(2-cyano-1-oxoethyl)amino]-3,3,3-trifluoro-2-hydroxypropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[(2-cyanoacetyl)amino]-3,3,3-trifluoro-2-hydroxypropanoate Traditional Name: (2S)-2-[(2-cyanoacetyl)amino]-3,3,3-trifluoro-2-hydroxy-propionic acid ethyl ester Formula: C8H9F3N2O4 MolecularWeight: 254.16327

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(F)(F)F)(NC(=O)CC#N)O

Isomeric SMILES

CCOC(=O)[C@](C(F)(F)F)(NC(=O)CC#N)O

InChI

InChI=1S/C8H9F3N2O4/c1-2-17-6(15)7(16,8(9,10)11)13-5(14)3-4-12/h16H,2-3H2,1H3,(H,13,14)/t7-/m0/s1