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3,3,3-Trifluoro-2-(4-fluoro-benzoylamino)-2-(6-nitro-benzothiazol-2-ylamino)-propionic acid methyl ester
SpectraBase Compound ID B7rGVSaZFZB
InChI InChI=1S/C18H12F4N4O5S/c1-31-15(28)17(18(20,21)22,24-14(27)9-2-4-10(19)5-3-9)25-16-23-12-7-6-11(26(29)30)8-13(12)32-16/h2-8H,1H3,(H,23,25)(H,24,27)
InChIKey BMYFLUKWOYNMQI-UHFFFAOYSA-N
Mol Weight 472.37 g/mol
Molecular Formula C18H12F4N4O5S
Exact Mass 472.046453 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID qG9oykmFbq
Name 3,3,3-Trifluoro-2-(4-fluoro-benzoylamino)-2-(6-nitro-benzothiazol-2-ylamino)-propionic acid methyl ester
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Formula C18H12F4N4O5S
InChI InChI=1S/C18H12F4N4O5S/c1-31-15(28)17(18(20,21)22,24-14(27)9-2-4-10(19)5-3-9)25-16-23-12-7-6-11(26(29)30)8-13(12)32-16/h2-8H,1H3,(H,23,25)(H,24,27)
InChIKey BMYFLUKWOYNMQI-UHFFFAOYSA-N
Molecular Weight 472.371 g/mol
SMILES N(C(Nc1nc2ccc(N(=O)=O)cc2s1)(C(F)(F)F)C(=O)OC)C(c1ccc(cc1)F)=O
SPLASH splash10-00di-4901500000-ef07d1db30f6e85baedb
Synonyms 3,3,3-trifluoro-2-[(4-fluorobenzoyl)amino]-2-[(6-nitro-1,3-benzothiazol-2-yl)amino]propionic acid methyl ester 3,3,3-trifluoro-2-[[(4-fluorophenyl)-oxomethyl]amino]-2-[(6-nitro-1,3-benzothiazol-2-yl)amino]propanoic acid methyl ester Methyl 3,3,3-trifluoro-2-[(4-fluorobenzoyl)amino]-2-[(6-nitro-1,3-benzothiazol-2-yl)amino]propanoate Methyl 3,3,3-tris(fluoranyl)-2-[(4-fluorophenyl)carbonylamino]-2-[(6-nitro-1,3-benzothiazol-2-yl)amino]propanoate
Wiley ID 1462807