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2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-2-[(2,4-dichlorobenzoyl)amino]-3,3,3-trifluoro-propionic acid methyl ester
SpectraBase Compound ID Gjsq1N9Qad1
InChI InChI=1S/C18H11BrCl2F3N3O3S/c1-30-15(29)17(18(22,23)24,26-14(28)10-4-3-9(20)7-11(10)21)27-16-25-12-5-2-8(19)6-13(12)31-16/h2-7H,1H3,(H,25,27)(H,26,28)
InChIKey IMUKLKXDSKTNKB-UHFFFAOYSA-N
Mol Weight 557.17 g/mol
Molecular Formula C18H11BrCl2F3N3O3S
Exact Mass 554.903365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FO3hPHzfZhw
Name 2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-2-[(2,4-dichlorobenzoyl)amino]-3,3,3-trifluoro-propionic acid methyl ester
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Formula C18H11BrCl2F3N3O3S
InChI InChI=1S/C18H11BrCl2F3N3O3S/c1-30-15(29)17(18(22,23)24,26-14(28)10-4-3-9(20)7-11(10)21)27-16-25-12-5-2-8(19)6-13(12)31-16/h2-7H,1H3,(H,25,27)(H,26,28)
InChIKey IMUKLKXDSKTNKB-UHFFFAOYSA-N
Molecular Weight 557.169 g/mol
SMILES N(C(Nc1nc2ccc(cc2s1)Br)(C(F)(F)F)C(=O)OC)C(c1c(cc(cc1)Cl)Cl)=O
SPLASH splash10-0101-1924220000-f742bbaf5e9c7b112cfe
Synonyms 2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-2-[[(2,4-dichlorophenyl)-oxomethyl]amino]-3,3,3-trifluoropropanoic acid methyl ester Methyl 2-[(6-bromanyl-1,3-benzothiazol-2-yl)amino]-2-[(2,4-dichlorophenyl)carbonylamino]-3,3,3-tris(fluoranyl)propanoate Methyl 2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-2-[(2,4-dichlorobenzoyl)amino]-3,3,3-trifluoro-propanoate
Wiley ID 1462794