ethyl (2S)-3,3,3-tris(fluoranyl)-2-(2-phenoxyethanoylamino)-2-(1,2,4-triazol-4-ylamino)propanoate

Systemtic Name: ethyl (2S)-3,3,3-tris(fluoranyl)-2-(2-phenoxyethanoylamino)-2-(1,2,4-triazol-4-ylamino)propanoate Openeye Name: ethyl (2S)-3,3,3-trifluoro-2-[(2-phenoxyacetyl)amino]-2-(1,2,4-triazol-4-ylamino)propanoate CAS Name: (2S)-3,3,3-trifluoro-2-[(1-oxo-2-phenoxyethyl)amino]-2-(1,2,4-triazol-4-ylamino)propanoic acid ethyl ester IUPAC Name: ethyl (2S)-3,3,3-trifluoro-2-[(2-phenoxyacetyl)amino]-2-(1,2,4-triazol-4-ylamino)propanoate Traditional Name: (2S)-3,3,3-trifluoro-2-[(2-phenoxyacetyl)amino]-2-(1,2,4-triazol-4-ylamino)propionic acid ethyl ester Formula: C15H16F3N5O4 MolecularWeight: 387.31385

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(F)(F)F)(NC(=O)COC1=CC=CC=C1)NN2C=NN=C2

Isomeric SMILES

CCOC(=O)[C@](C(F)(F)F)(NC(=O)COC1=CC=CC=C1)NN2C=NN=C2

InChI

InChI=1S/C15H16F3N5O4/c1-2-26-13(25)14(15(16,17)18,22-23-9-19-20-10-23)21-12(24)8-27-11-6-4-3-5-7-11/h3-7,9-10,22H,2,8H2,1H3,(H,21,24)/t14-/m0/s1