2-[(2,4-dichlorobenzoyl)amino]-3,3,3-trifluoro-2-[[6-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]-1,3-benzothiazol-2-yl]amino]propionic acid methyl ester

SpectraBase Compound ID	CtR9QlWjDkS
InChI	InChI=1S/C21H12Cl2F9N3O4S/c1-39-15(37)18(21(30,31)32,34-14(36)10-4-3-9(22)7-11(10)23)35-16-33-12-5-2-8(6-13(12)40-16)17(38,19(24,25)26)20(27,28)29/h2-7,38H,1H3,(H,33,35)(H,34,36)
InChIKey	FWNHESCTZLKJBR-UHFFFAOYSA-N Google Search
Mol Weight	644.3 g/mol
Molecular Formula	C21H12Cl2F9N3O4S
Exact Mass	642.978186 g/mol

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SpectraBase Spectrum ID	KDZmokLFQtb
Name	2-[(2,4-dichlorobenzoyl)amino]-3,3,3-trifluoro-2-[[6-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]-1,3-benzothiazol-2-yl]amino]propionic acid methyl ester
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H12Cl2F9N3O4S
InChI	InChI=1S/C21H12Cl2F9N3O4S/c1-39-15(37)18(21(30,31)32,34-14(36)10-4-3-9(22)7-11(10)23)35-16-33-12-5-2-8(6-13(12)40-16)17(38,19(24,25)26)20(27,28)29/h2-7,38H,1H3,(H,33,35)(H,34,36)
InChIKey	FWNHESCTZLKJBR-UHFFFAOYSA-N
Molecular Weight	644.296 g/mol
SMILES	N(C(Nc1sc2cc(C(C(F)(F)F)(C(F)(F)F)O)ccc2n1)(C(F)(F)F)C(=O)OC)C(c1c(cc(cc1)Cl)Cl)=O
SPLASH	splash10-00fr-3900000000-52ab4f89c3b51abe9192
Synonyms	2-[[(2,4-dichlorophenyl)-oxomethyl]amino]-3,3,3-trifluoro-2-[[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-benzothiazol-2-yl]amino]propanoic acid methyl ester Methyl 2-[(2,4-dichlorobenzoyl)amino]-3,3,3-trifluoro-2-[[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-benzothiazol-2-yl]amino]propanoate Methyl 2-[(2,4-dichlorobenzoyl)amino]-3,3,3-trifluoro-2-[[6-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]-1,3-benzothiazol-2-yl]amino]propanoate Methyl 2-[(2,4-dichlorophenyl)carbonylamino]-3,3,3-tris(fluoranyl)-2-[[6-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]-1,3-benzothiazol-2-yl]amino]propanoate
Wiley ID	1464307