alanine, N-(2-benzothiazolyl)-3,3,3-trifluoro-2-[(4-methylbenzoyl)amino]-, methyl ester

SpectraBase Compound ID	IElV0niqlHe
InChI	InChI=1S/C19H16F3N3O3S/c1-11-7-9-12(10-8-11)15(26)24-18(16(27)28-2,19(20,21)22)25-17-23-13-5-3-4-6-14(13)29-17/h3-10H,1-2H3,(H,23,25)(H,24,26)
InChIKey	HXMLKZZERUWFBL-UHFFFAOYSA-N Google Search
Mol Weight	423.41 g/mol
Molecular Formula	C19H16F3N3O3S
Exact Mass	423.086447 g/mol

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SpectraBase Spectrum ID	7KAWsQj6nKL
Name	2-(Benzothiazol-2-ylamino)-3,3,3-trifluoro-2-(4-methyl-benzoylamino)-propionic acid methyl ester
Alternate Name(s)	2-(1,3-benzothiazol-2-ylamino)-3,3,3-trifluoro-2-(p-toluoylamino)propionic acid methyl ester 2-(1,3-benzothiazol-2-ylamino)-3,3,3-trifluoro-2-[[(4-methylphenyl)-oxomethyl]amino]propanoic acid methyl ester Methyl 2-(1,3-benzothiazol-2-ylamino)-3,3,3-trifluoro-2-[(4-methylbenzoyl)amino]propanoate Methyl 2-(1,3-benzothiazol-2-ylamino)-3,3,3-tris(fluoranyl)-2-[(4-methylphenyl)carbonylamino]propanoate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C19H16F3N3O3S
InChI	InChI=1S/C19H16F3N3O3S/c1-11-7-9-12(10-8-11)15(26)24-18(16(27)28-2,19(20,21)22)25-17-23-13-5-3-4-6-14(13)29-17/h3-10H,1-2H3,(H,23,25)(H,24,26)
InChIKey	HXMLKZZERUWFBL-UHFFFAOYSA-N
Molecular Weight	423.410 g/mol
SMILES	N(C(Nc1nc2ccccc2s1)(C(F)(F)F)C(=O)OC)C(c1ccc(cc1)C)=O
SPLASH	splash10-014i-2931000000-c323c6b672171ecaca35
Wiley ID	1461760