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2-Acetylamino-2-(6-butoxy-benzothiazol-2-ylamino)-3,3,3-trifluoro-propionic acid methyl ester
SpectraBase Compound ID 1dCP5U7WdDw
InChI InChI=1S/C17H20F3N3O4S/c1-4-5-8-27-11-6-7-12-13(9-11)28-15(21-12)23-16(14(25)26-3,17(18,19)20)22-10(2)24/h6-7,9H,4-5,8H2,1-3H3,(H,21,23)(H,22,24)
InChIKey KEQIANABCXTKQE-UHFFFAOYSA-N
Mol Weight 419.42 g/mol
Molecular Formula C17H20F3N3O4S
Exact Mass 419.112662 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L9UvR4EYSbm
Name 2-Acetylamino-2-(6-butoxy-benzothiazol-2-ylamino)-3,3,3-trifluoro-propionic acid methyl ester
Alternate Name(s) 2-Acetamido-2-[(6-butoxy-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoro-propionic acid methyl ester 2-Acetamido-2-[(6-butoxy-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoropropanoic acid methyl ester Methyl 2-(acetylamino)-2-[(6-butoxy-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoropropanoate Methyl 2-acetamido-2-[(6-butoxy-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoro-propanoate Methyl 2-acetamido-2-[(6-butoxy-1,3-benzothiazol-2-yl)amino]-3,3,3-tris(fluoranyl)propanoate
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Formula C17H20F3N3O4S
InChI InChI=1S/C17H20F3N3O4S/c1-4-5-8-27-11-6-7-12-13(9-11)28-15(21-12)23-16(14(25)26-3,17(18,19)20)22-10(2)24/h6-7,9H,4-5,8H2,1-3H3,(H,21,23)(H,22,24)
InChIKey KEQIANABCXTKQE-UHFFFAOYSA-N
Molecular Weight 419.419 g/mol
SMILES N(c1nc2ccc(cc2s1)OCCCC)C(C(F)(F)F)(NC(=O)C)C(=O)OC
SPLASH splash10-02tc-9617100000-144e8d1266c67aaf003e
Wiley ID 1463515