methyl 3,3,3-trifluoro-2-[(6-isopropyl-1,3-benzothiazol-2-yl)amino]-2-[(phenoxyacetyl)amino]propanoate

SpectraBase Compound ID	AjjwHbPiVEm
InChI	InChI=1S/C22H22F3N3O4S/c1-13(2)14-9-10-16-17(11-14)33-20(26-16)28-21(19(30)31-3,22(23,24)25)27-18(29)12-32-15-7-5-4-6-8-15/h4-11,13H,12H2,1-3H3,(H,26,28)(H,27,29)
InChIKey	MHEODOLURDJDRT-UHFFFAOYSA-N Google Search
Mol Weight	481.49 g/mol
Molecular Formula	C22H22F3N3O4S
Exact Mass	481.128312 g/mol

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SpectraBase Spectrum ID	FaxaU3zLd8l
Name	methyl 3,3,3-trifluoro-2-[(6-isopropyl-1,3-benzothiazol-2-yl)amino]-2-[(phenoxyacetyl)amino]propanoate
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C22H22F3N3O4S/c1-13(2)14-9-10-16-17(11-14)33-20(26-16)28-21(19(30)31-3,22(23,24)25)27-18(29)12-32-15-7-5-4-6-8-15/h4-11,13H,12H2,1-3H3,(H,26,28)(H,27,29)
InChIKey	MHEODOLURDJDRT-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_25555
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: D49973; Labnumber: SOK-1821; SBI_ID: SBI-025559
Temperature	315 °C