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2-[(2,4-dichlorobenzoyl)amino]-3,3,3-trifluoro-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]propionic acid methyl ester
SpectraBase Compound ID EAnXfVACN4k
InChI InChI=1S/C18H11Cl2F4N3O3S/c1-30-15(29)17(18(22,23)24,26-14(28)10-4-2-8(19)6-11(10)20)27-16-25-12-5-3-9(21)7-13(12)31-16/h2-7H,1H3,(H,25,27)(H,26,28)
InChIKey NWYQFQLMMDMYBM-UHFFFAOYSA-N
Mol Weight 496.26 g/mol
Molecular Formula C18H11Cl2F4N3O3S
Exact Mass 494.98343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KMHuMMnsnpz
Name 2-[(2,4-dichlorobenzoyl)amino]-3,3,3-trifluoro-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]propionic acid methyl ester
Alternate Name(s) 2-[[(2,4-dichlorophenyl)-oxomethyl]amino]-3,3,3-trifluoro-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]propanoic acid methyl ester Methyl 2-[(2,4-dichlorobenzoyl)amino]-3,3,3-trifluoro-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]propanoate Methyl 2-[(2,4-dichlorophenyl)carbonylamino]-3,3,3-tris(fluoranyl)-2-[(6-fluoranyl-1,3-benzothiazol-2-yl)amino]propanoate
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Formula C18H11Cl2F4N3O3S
InChI InChI=1S/C18H11Cl2F4N3O3S/c1-30-15(29)17(18(22,23)24,26-14(28)10-4-2-8(19)6-11(10)20)27-16-25-12-5-3-9(21)7-13(12)31-16/h2-7H,1H3,(H,25,27)(H,26,28)
InChIKey NWYQFQLMMDMYBM-UHFFFAOYSA-N
Molecular Weight 496.264 g/mol
SMILES N(C(Nc1nc2ccc(cc2s1)F)(C(F)(F)F)C(=O)OC)C(c1c(cc(cc1)Cl)Cl)=O
SPLASH splash10-05ia-0901500000-060ae71ca2358a9112d8
Wiley ID 1462793