alanine, N-acetyl-3,3,3-trifluoro-2-[(6-nitro-2-benzothiazolyl)amino]-, methyl ester

SpectraBase Compound ID	IZ5Y3FK9brV
InChI	InChI=1S/C13H11F3N4O5S/c1-6(21)18-12(10(22)25-2,13(14,15)16)19-11-17-8-4-3-7(20(23)24)5-9(8)26-11/h3-5H,1-2H3,(H,17,19)(H,18,21)
InChIKey	SNELLIBMYLTTDE-UHFFFAOYSA-N Google Search
Mol Weight	392.31 g/mol
Molecular Formula	C13H11F3N4O5S
Exact Mass	392.040225 g/mol

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SpectraBase Spectrum ID	Gh3W1TOURKr
Name	2-Acetylamino-3,3,3-trifluoro-2-(6-nitro-benzothiazol-2-ylamino)-propionic acid methyl ester
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C13H11F3N4O5S
InChI	InChI=1S/C13H11F3N4O5S/c1-6(21)18-12(10(22)25-2,13(14,15)16)19-11-17-8-4-3-7(20(23)24)5-9(8)26-11/h3-5H,1-2H3,(H,17,19)(H,18,21)
InChIKey	SNELLIBMYLTTDE-UHFFFAOYSA-N
Molecular Weight	392.309 g/mol
SMILES	N(c1nc2ccc(N(=O)=O)cc2s1)C(C(F)(F)F)(NC(=O)C)C(=O)OC
SPLASH	splash10-0006-9521000000-ab919de8080f467f5f04
Synonyms	2-Acetamido-3,3,3-trifluoro-2-[(6-nitro-1,3-benzothiazol-2-yl)amino]propanoic acid methyl ester 2-Acetamido-3,3,3-trifluoro-2-[(6-nitro-1,3-benzothiazol-2-yl)amino]propionic acid methyl ester Methyl 2-(acetylamino)-3,3,3-trifluoro-2-[(6-nitro-1,3-benzothiazol-2-yl)amino]propanoate Methyl 2-acetamido-3,3,3-trifluoro-2-[(6-nitro-1,3-benzothiazol-2-yl)amino]propanoate Methyl 2-acetamido-3,3,3-tris(fluoranyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)amino]propanoate
Wiley ID	1463320