methyl 2-[(4-chlorobenzoyl)amino]-2-[(3-cyano-4-ethyl-5-methyl-2-thienyl)amino]-3,3,3-trifluoropropanoate

SpectraBase Compound ID	LcNTu5l1OkM
InChI	InChI=1S/C19H17ClF3N3O3S/c1-4-13-10(2)30-16(14(13)9-24)26-18(17(28)29-3,19(21,22)23)25-15(27)11-5-7-12(20)8-6-11/h5-8,26H,4H2,1-3H3,(H,25,27)
InChIKey	YFEWSXDUUZLRQC-UHFFFAOYSA-N Google Search
Mol Weight	459.87 g/mol
Molecular Formula	C19H17ClF3N3O3S
Exact Mass	459.063125 g/mol

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SpectraBase Spectrum ID	4Npo76L19gS
Name	methyl 2-[(4-chlorobenzoyl)amino]-2-[(3-cyano-4-ethyl-5-methyl-2-thienyl)amino]-3,3,3-trifluoropropanoate
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/C19H17ClF3N3O3S/c1-4-13-10(2)30-16(14(13)9-24)26-18(17(28)29-3,19(21,22)23)25-15(27)11-5-7-12(20)8-6-11/h5-8,26H,4H2,1-3H3,(H,25,27)
InChIKey	YFEWSXDUUZLRQC-UHFFFAOYSA-N
NMR Offset	17.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_7529_3267
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: NMR/10211671; Labnumber: AU-EC00997