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2-(1-Ethoxycarbonyl-2,2,2-trifluoro-1-pentanoylamino-ethylamino)-benzothiazole-6-carboxylic acid ethyl ester
SpectraBase Compound ID 145nDUoOoTb
InChI InChI=1S/C20H24F3N3O5S/c1-4-7-8-15(27)25-19(20(21,22)23,17(29)31-6-3)26-18-24-13-10-9-12(11-14(13)32-18)16(28)30-5-2/h9-11H,4-8H2,1-3H3,(H,24,26)(H,25,27)
InChIKey JMKHHZILIIVGHO-UHFFFAOYSA-N
Mol Weight 475.48 g/mol
Molecular Formula C20H24F3N3O5S
Exact Mass 475.138877 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B37HWRnGeVk
Name 2-(1-Ethoxycarbonyl-2,2,2-trifluoro-1-pentanoylamino-ethylamino)-benzothiazole-6-carboxylic acid ethyl ester
Alternate Name(s) 2-[[1-carbethoxy-2,2,2-trifluoro-1-(valerylamino)ethyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester 2-[[3-ethoxy-1,1,1-trifluoro-3-oxo-2-(1-oxopentylamino)propan-2-yl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Ethyl 2-[[1-ethoxycarbonyl-2,2,2-trifluoro-1-(pentanoylamino)ethyl]amino]-1,3-benzothiazole-6-carboxylate Ethyl 2-[[3-ethoxy-1,1,1-trifluoro-3-oxo-2-(pentanoylamino)propan-2-yl]amino]-1,3-benzothiazole-6-carboxylate Ethyl 2-[[3-ethoxy-1,1,1-tris(fluoranyl)-3-oxidanylidene-2-(pentanoylamino)propan-2-yl]amino]-1,3-benzothiazole-6-carboxylate
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Formula C20H24F3N3O5S
InChI InChI=1S/C20H24F3N3O5S/c1-4-7-8-15(27)25-19(20(21,22)23,17(29)31-6-3)26-18-24-13-10-9-12(11-14(13)32-18)16(28)30-5-2/h9-11H,4-8H2,1-3H3,(H,24,26)(H,25,27)
InChIKey JMKHHZILIIVGHO-UHFFFAOYSA-N
Molecular Weight 475.483 g/mol
SMILES N(c1nc2ccc(C(=O)OCC)cc2s1)C(C(F)(F)F)(NC(=O)CCCC)C(=O)OCC
SPLASH splash10-014i-1229300000-8c62c20fa5fdbe1df644
Wiley ID 1462813