4-[2-(4-Methylphenyl)-1,1,3-trioxo-2,3-dihydro-1H-isothiazol-4-yl]pentanoic acid

SpectraBase Compound ID	9tVzeH4HNDz
InChI	InChI=1S/C15H17NO5S/c1-10-3-6-12(7-4-10)16-15(19)13(9-22(16,20)21)11(2)5-8-14(17)18/h3-4,6-7,9,11H,5,8H2,1-2H3,(H,17,18)
InChIKey	ZWZCDQGFUYGERV-UHFFFAOYSA-N Google Search
Mol Weight	323.36 g/mol
Molecular Formula	C15H17NO5S
Exact Mass	323.082744 g/mol

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SpectraBase Spectrum ID	5XsfUaRdoWc
Name	4-[2-(4-Methylphenyl)-1,1,3-trioxo-2,3-dihydro-1H-isothiazol-4-yl]pentanoic acid
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C15H17NO5S
InChI	InChI=1S/C15H17NO5S/c1-10-3-6-12(7-4-10)16-15(19)13(9-22(16,20)21)11(2)5-8-14(17)18/h3-4,6-7,9,11H,5,8H2,1-2H3,(H,17,18)
InChIKey	ZWZCDQGFUYGERV-UHFFFAOYSA-N
Literature Reference DOI	10.1002_1521-3897(200009)342_7_675
Molecular Weight	323.363 g/mol
SMILES	OC(CCC(C1=CS(=O)(=O)N(C1=O)c1ccc(cc1)C)C)=O
SPLASH	splash10-014l-6931000000-aa813244f2d60c97d3d0
Source of Spectrum	JF-342-680-18b
Synonyms	4-(1,1-dioxido-3-oxo-2-(p-tolyl)-2,3-dihydroisothiazol-4-yl)pentanoic acid
Wiley ID	1767071