5-Ethyl-2-[[2-(4-ethylpiperazino)-5-nitro-benzoyl]amino]thiophene-3-carboxylic acid ethyl ester

SpectraBase Compound ID	8BMD4Znwt6x
InChI	InChI=1S/C22H28N4O5S/c1-4-16-14-18(22(28)31-6-3)21(32-16)23-20(27)17-13-15(26(29)30)7-8-19(17)25-11-9-24(5-2)10-12-25/h7-8,13-14H,4-6,9-12H2,1-3H3,(H,23,27)
InChIKey	LNJHQRVTJGHYFR-UHFFFAOYSA-N Google Search
Mol Weight	460.55 g/mol
Molecular Formula	C22H28N4O5S
Exact Mass	460.178041 g/mol

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SpectraBase Spectrum ID	BiU1pZdAwkD
Name	3-thiophenecarboxylic acid, 5-ethyl-2-[[2-(4-ethyl-1-piperazinyl)-5-nitrobenzoyl]amino]-, 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	460.178041187 u
Formula	C22H28N4O5S
InChI	InChI=1S/C22H28N4O5S/c1-4-16-14-18(22(28)31-6-3)21(32-16)23-20(27)17-13-15(26(29)30)7-8-19(17)25-11-9-24(5-2)10-12-25/h7-8,13-14H,4-6,9-12H2,1-3H3,(H,23,27)
InChIKey	LNJHQRVTJGHYFR-UHFFFAOYSA-N
Molecular Weight	460.549 g/mol
NMR Offset	18.0059
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_3930
Solvent	DMSO-d6
Source	Vendor ID: NMR/9254493; Lab Info: DS; Lab Number: DS-0001003
Temperature	29.85 °C