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2-Acetylamino-3,3,3-trifluoro-2-(6-fluoro-benzothiazol-2-ylamino)-propionic acid methyl ester
SpectraBase Compound ID BPafUumvGGR
InChI InChI=1S/C13H11F4N3O3S/c1-6(21)19-12(10(22)23-2,13(15,16)17)20-11-18-8-4-3-7(14)5-9(8)24-11/h3-5H,1-2H3,(H,18,20)(H,19,21)
InChIKey NWAFINYAYXIPQO-UHFFFAOYSA-N
Mol Weight 365.3 g/mol
Molecular Formula C13H11F4N3O3S
Exact Mass 365.045725 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Au150B5M5K
Name 2-Acetylamino-3,3,3-trifluoro-2-(6-fluoro-benzothiazol-2-ylamino)-propionic acid methyl ester
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Formula C13H11F4N3O3S
InChI InChI=1S/C13H11F4N3O3S/c1-6(21)19-12(10(22)23-2,13(15,16)17)20-11-18-8-4-3-7(14)5-9(8)24-11/h3-5H,1-2H3,(H,18,20)(H,19,21)
InChIKey NWAFINYAYXIPQO-UHFFFAOYSA-N
Molecular Weight 365.303 g/mol
SMILES N(c1nc2ccc(cc2s1)F)C(C(F)(F)F)(NC(=O)C)C(=O)OC
SPLASH splash10-07vl-3933000000-4ad57b1f27920d21d37c
Synonyms 2-Acetamido-3,3,3-trifluoro-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]propanoic acid methyl ester 2-Acetamido-3,3,3-trifluoro-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]propionic acid methyl ester Methyl 2-(acetylamino)-3,3,3-trifluoro-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]propanoate Methyl 2-acetamido-3,3,3-trifluoro-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]propanoate Methyl 2-acetamido-3,3,3-tris(fluoranyl)-2-[(6-fluoranyl-1,3-benzothiazol-2-yl)amino]propanoate
Wiley ID 1462459