methyl 3,3,3-trifluoro-2-[(2-methoxybenzoyl)amino]-2-[(4-methyl-1,3-benzothiazol-2-yl)amino]propanoate

SpectraBase Compound ID	8p3JTLkpFSI
InChI	InChI=1S/C20H18F3N3O4S/c1-11-7-6-10-14-15(11)24-18(31-14)26-19(17(28)30-3,20(21,22)23)25-16(27)12-8-4-5-9-13(12)29-2/h4-10H,1-3H3,(H,24,26)(H,25,27)
InChIKey	KCMVKPUGMVMBTE-UHFFFAOYSA-N Google Search
Mol Weight	453.44 g/mol
Molecular Formula	C20H18F3N3O4S
Exact Mass	453.097012 g/mol

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SpectraBase Spectrum ID	BCmaYkJp8FN
Name	methyl 3,3,3-trifluoro-2-[(2-methoxybenzoyl)amino]-2-[(4-methyl-1,3-benzothiazol-2-yl)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/C20H18F3N3O4S/c1-11-7-6-10-14-15(11)24-18(31-14)26-19(17(28)30-3,20(21,22)23)25-16(27)12-8-4-5-9-13(12)29-2/h4-10H,1-3H3,(H,24,26)(H,25,27)
InChIKey	KCMVKPUGMVMBTE-UHFFFAOYSA-N
NMR Offset	17.1563
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_431
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: C27136; Labnumber: SOK-1055; SBI_ID: SBI-000433
Temperature	308 °C