ethyl (2S)-2-(2-chloranylethanoylamino)-3,3,3-tris(fluoranyl)-2-[(4-fluorophenyl)amino]propanoate

Systemtic Name: ethyl (2S)-2-(2-chloranylethanoylamino)-3,3,3-tris(fluoranyl)-2-[(4-fluorophenyl)amino]propanoate Openeye Name: ethyl (2S)-2-[(2-chloroacetyl)amino]-3,3,3-trifluoro-2-(4-fluoroanilino)propanoate CAS Name: (2S)-2-[(2-chloro-1-oxoethyl)amino]-3,3,3-trifluoro-2-(4-fluoroanilino)propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[(2-chloroacetyl)amino]-3,3,3-trifluoro-2-(4-fluoroanilino)propanoate Traditional Name: (2S)-2-[(2-chloroacetyl)amino]-3,3,3-trifluoro-2-(4-fluoroanilino)propionic acid ethyl ester Formula: C13H13ClF4N2O3 MolecularWeight: 356.700533

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(F)(F)F)(NC1=CC=C(C=C1)F)NC(=O)CCl

Isomeric SMILES

CCOC(=O)[C@](C(F)(F)F)(NC1=CC=C(C=C1)F)NC(=O)CCl

InChI

InChI=1S/C13H13ClF4N2O3/c1-2-23-11(22)12(13(16,17)18,20-10(21)7-14)19-9-5-3-8(15)4-6-9/h3-6,19H,2,7H2,1H3,(H,20,21)/t12-/m0/s1