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3,3,3-Trifluoro-2-(6-fluoro-benzothiazol-2-ylamino)-2-phenylacetylamino-propionic acid methyl ester
SpectraBase Compound ID 2M1xaYao2sp
InChI InChI=1S/C19H15F4N3O3S/c1-29-16(28)18(19(21,22)23,25-15(27)9-11-5-3-2-4-6-11)26-17-24-13-8-7-12(20)10-14(13)30-17/h2-8,10H,9H2,1H3,(H,24,26)(H,25,27)
InChIKey TYLDHSYLWFPOCY-UHFFFAOYSA-N
Mol Weight 441.4 g/mol
Molecular Formula C19H15F4N3O3S
Exact Mass 441.077025 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 33CQrvLn2hg
Name 3,3,3-Trifluoro-2-(6-fluoro-benzothiazol-2-ylamino)-2-phenylacetylamino-propionic acid methyl ester
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Formula C19H15F4N3O3S
InChI InChI=1S/C19H15F4N3O3S/c1-29-16(28)18(19(21,22)23,25-15(27)9-11-5-3-2-4-6-11)26-17-24-13-8-7-12(20)10-14(13)30-17/h2-8,10H,9H2,1H3,(H,24,26)(H,25,27)
InChIKey TYLDHSYLWFPOCY-UHFFFAOYSA-N
Molecular Weight 441.401 g/mol
SMILES N(c1nc2ccc(cc2s1)F)C(C(F)(F)F)(NC(=O)Cc1ccccc1)C(=O)OC
SPLASH splash10-0006-9410000000-135a3d4e59e74ae725e7
Synonyms 3,3,3-trifluoro-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-[(1-oxo-2-phenylethyl)amino]propanoic acid methyl ester 3,3,3-trifluoro-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-[(2-phenylacetyl)amino]propionic acid methyl ester Methyl 3,3,3-trifluoro-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-[(2-phenylacetyl)amino]propanoate Methyl 3,3,3-trifluoro-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-[(phenylacetyl)amino]propanoate Methyl 3,3,3-tris(fluoranyl)-2-[(6-fluoranyl-1,3-benzothiazol-2-yl)amino]-2-(2-phenylethanoylamino)propanoate
Wiley ID 1463512