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2-(4,5-Dimethyl-benzothiazol-2-ylamino)-3,3,3-trifluoro-2-pentanoylamino-propionic acid ethyl ester
SpectraBase Compound ID JeAIgoqKUfX
InChI InChI=1S/C19H24F3N3O3S/c1-5-7-8-14(26)24-18(19(20,21)22,16(27)28-6-2)25-17-23-15-12(4)11(3)9-10-13(15)29-17/h9-10H,5-8H2,1-4H3,(H,23,25)(H,24,26)
InChIKey OAKUDGNVXGYCEJ-UHFFFAOYSA-N
Mol Weight 431.47 g/mol
Molecular Formula C19H24F3N3O3S
Exact Mass 431.149047 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B47oKl4CAaW
Name 2-(4,5-Dimethyl-benzothiazol-2-ylamino)-3,3,3-trifluoro-2-pentanoylamino-propionic acid ethyl ester
Alternate Name(s) 2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoro-2-(1-oxopentylamino)propanoic acid ethyl ester 2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoro-2-(valerylamino)propionic acid ethyl ester Ethyl 2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoro-2-(pentanoylamino)propanoate Ethyl 2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]-3,3,3-tris(fluoranyl)-2-(pentanoylamino)propanoate
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Formula C19H24F3N3O3S
InChI InChI=1S/C19H24F3N3O3S/c1-5-7-8-14(26)24-18(19(20,21)22,16(27)28-6-2)25-17-23-15-12(4)11(3)9-10-13(15)29-17/h9-10H,5-8H2,1-4H3,(H,23,25)(H,24,26)
InChIKey OAKUDGNVXGYCEJ-UHFFFAOYSA-N
Molecular Weight 431.474 g/mol
SMILES N(c1nc2c(c(C)ccc2s1)C)C(C(F)(F)F)(NC(=O)CCCC)C(=O)OCC
SPLASH splash10-0a4r-9310000000-e3708a351b726334db9d
Wiley ID 1464317