6-[(4-Acetyl-phenylcarbamoyl)-methylsulfanyl]-5-cyano-2-hydroxy-nicotinic acid ethyl ester

SpectraBase Compound ID	9QFUxgtGrMq
InChI	InChI=1S/C19H17N3O5S/c1-3-27-19(26)15-8-13(9-20)18(22-17(15)25)28-10-16(24)21-14-6-4-12(5-7-14)11(2)23/h4-8H,3,10H2,1-2H3,(H,21,24)(H,22,25)
InChIKey	FNZWPOYLFOLJND-UHFFFAOYSA-N Google Search
Mol Weight	399.42 g/mol
Molecular Formula	C19H17N3O5S
Exact Mass	399.088892 g/mol

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SpectraBase Spectrum ID	BVnErzbEK9T
Name	3-pyridinecarboxylic acid, 6-[[2-[(4-acetylphenyl)amino]-2-oxoethyl]thio]-5-cyano-2-hydroxy-, ethyl ester
Copyright	Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	399.088891828 u
Formula	C19H17N3O5S
InChI	InChI=1S/C19H17N3O5S/c1-3-27-19(26)15-8-13(9-20)18(22-17(15)25)28-10-16(24)21-14-6-4-12(5-7-14)11(2)23/h4-8H,3,10H2,1-2H3,(H,21,24)(H,22,25)
InChIKey	FNZWPOYLFOLJND-UHFFFAOYSA-N
Molecular Weight	399.421 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_17234
Solvent	DMSO-d6
Source	Vendor ID: NMR/10322202; Lab Info: DVD; Lab Number: DVD-0120030