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thieno[2,3-b]pyridine-5-carboxylic acid, 3-amino-4,7-dihydro-4-(4-methoxyphenyl)-6-methyl-2-[[(5-methyl-3-isoxazolyl)amino]carbonyl]-, methyl ester

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thieno[2,3-b]pyridine-5-carboxylic acid, 3-amino-4,7-dihydro-4-(4-methoxyphenyl)-6-methyl-2-[[(5-methyl-3-isoxazolyl)amino]carbonyl]-, methyl ester
SpectraBase Compound ID J1juMjnYoW4
InChI InChI=1S/C22H22N4O5S/c1-10-9-14(26-31-10)25-20(27)19-18(23)17-16(12-5-7-13(29-3)8-6-12)15(22(28)30-4)11(2)24-21(17)32-19/h5-9,16,24H,23H2,1-4H3,(H,25,26,27)
InChIKey GMMJGKYFRCNFPU-UHFFFAOYSA-N
Mol Weight 454.5 g/mol
Molecular Formula C22H22N4O5S
Exact Mass 454.131091 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID OuNOM9ydbw
Name thieno[2,3-b]pyridine-5-carboxylic acid, 3-amino-4,7-dihydro-4-(4-methoxyphenyl)-6-methyl-2-[[(5-methyl-3-isoxazolyl)amino]carbonyl]-, methyl ester
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/C22H22N4O5S/c1-10-9-14(26-31-10)25-20(27)19-18(23)17-16(12-5-7-13(29-3)8-6-12)15(22(28)30-4)11(2)24-21(17)32-19/h5-9,16,24H,23H2,1-4H3,(H,25,26,27)
InChIKey GMMJGKYFRCNFPU-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_1506
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: F10840; Labnumber: SHES8-1321