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2-Acetylamino-2-(4,6-dimethyl-benzothiazol-2-ylamino)-3,3,3-trifluoro-propionic acid methyl ester
SpectraBase Compound ID ETSIMfFh4bt
InChI InChI=1S/C15H16F3N3O3S/c1-7-5-8(2)11-10(6-7)25-13(19-11)21-14(12(23)24-4,15(16,17)18)20-9(3)22/h5-6H,1-4H3,(H,19,21)(H,20,22)
InChIKey OKUNNLOTXMAFNP-UHFFFAOYSA-N
Mol Weight 375.37 g/mol
Molecular Formula C15H16F3N3O3S
Exact Mass 375.086447 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C6AT0nvGWqF
Name 2-Acetylamino-2-(4,6-dimethyl-benzothiazol-2-ylamino)-3,3,3-trifluoro-propionic acid methyl ester
Alternate Name(s) 2-Acetamido-2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoro-propionic acid methyl ester 2-Acetamido-2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoropropanoic acid methyl ester Methyl 2-(acetylamino)-2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoropropanoate Methyl 2-acetamido-2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoro-propanoate Methyl 2-acetamido-2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-3,3,3-tris(fluoranyl)propanoate
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Formula C15H16F3N3O3S
InChI InChI=1S/C15H16F3N3O3S/c1-7-5-8(2)11-10(6-7)25-13(19-11)21-14(12(23)24-4,15(16,17)18)20-9(3)22/h5-6H,1-4H3,(H,19,21)(H,20,22)
InChIKey OKUNNLOTXMAFNP-UHFFFAOYSA-N
Molecular Weight 375.366 g/mol
SMILES N(c1nc2c(cc(cc2s1)C)C)C(C(F)(F)F)(NC(=O)C)C(=O)OC
SPLASH splash10-002f-8934000000-8d77a87e6a62c5c0766a
Wiley ID 1463517