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2-[[1-carbomethoxy-1-[(2,4-dichlorobenzoyl)amino]-2,2,2-trifluoro-ethyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester
SpectraBase Compound ID 3X0f1KbPYDP
InChI InChI=1S/C21H16Cl2F3N3O5S/c1-3-34-17(31)10-4-7-14-15(8-10)35-19(27-14)29-20(18(32)33-2,21(24,25)26)28-16(30)12-6-5-11(22)9-13(12)23/h4-9H,3H2,1-2H3,(H,27,29)(H,28,30)
InChIKey HAVAYMOGLTWHGS-UHFFFAOYSA-N
Mol Weight 550.34 g/mol
Molecular Formula C21H16Cl2F3N3O5S
Exact Mass 549.013982 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ff9afxpvDY4
Name 2-[[1-carbomethoxy-1-[(2,4-dichlorobenzoyl)amino]-2,2,2-trifluoro-ethyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester
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Formula C21H16Cl2F3N3O5S
InChI InChI=1S/C21H16Cl2F3N3O5S/c1-3-34-17(31)10-4-7-14-15(8-10)35-19(27-14)29-20(18(32)33-2,21(24,25)26)28-16(30)12-6-5-11(22)9-13(12)23/h4-9H,3H2,1-2H3,(H,27,29)(H,28,30)
InChIKey HAVAYMOGLTWHGS-UHFFFAOYSA-N
Molecular Weight 550.336 g/mol
SMILES N(C(Nc1nc2ccc(C(=O)OCC)cc2s1)(C(F)(F)F)C(=O)OC)C(c1c(cc(cc1)Cl)Cl)=O
SPLASH splash10-00fr-1914100000-20032159a34b0dbe244e
Synonyms 2-[[2-[[(2,4-dichlorophenyl)-oxomethyl]amino]-1,1,1-trifluoro-3-methoxy-3-oxopropan-2-yl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Ethyl 2-[[1-[(2,4-dichlorobenzoyl)amino]-2,2,2-trifluoro-1-methoxycarbonyl-ethyl]amino]-1,3-benzothiazole-6-carboxylate Ethyl 2-[[2-[(2,4-dichlorobenzoyl)amino]-1,1,1-trifluoro-3-methoxy-3-oxopropan-2-yl]amino]-1,3-benzothiazole-6-carboxylate Ethyl 2-[[2-[(2,4-dichlorophenyl)carbonylamino]-1,1,1-tris(fluoranyl)-3-methoxy-3-oxidanylidene-propan-2-yl]amino]-1,3-benzothiazole-6-carboxylate
Wiley ID 1462795