methyl 2-{[{(2E)-2-[3-(2-amino-2-oxoethoxy)benzylidene]hydrazino}(oxo)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

SpectraBase Compound ID	At0KnpmO1rS
InChI	InChI=1S/C21H22N4O6S/c1-30-21(29)17-14-7-2-3-8-15(14)32-20(17)24-18(27)19(28)25-23-10-12-5-4-6-13(9-12)31-11-16(22)26/h4-6,9-10H,2-3,7-8,11H2,1H3,(H2,22,26)(H,24,27)(H,25,28)/b23-10+
InChIKey	PMFGASJXTVEXKO-AUEPDCJTSA-N Google Search
Mol Weight	458.49 g/mol
Molecular Formula	C21H22N4O6S
Exact Mass	458.126006 g/mol

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SpectraBase Spectrum ID	FuYev5kbJdW
Name	methyl 2-{[{(2E)-2-[3-(2-amino-2-oxoethoxy)benzylidene]hydrazino}(oxo)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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/C21H22N4O6S/c1-30-21(29)17-14-7-2-3-8-15(14)32-20(17)24-18(27)19(28)25-23-10-12-5-4-6-13(9-12)31-11-16(22)26/h4-6,9-10H,2-3,7-8,11H2,1H3,(H2,22,26)(H,24,27)(H,25,28)/b23-10+
InChIKey	PMFGASJXTVEXKO-AUEPDCJTSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_21013
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: D51946; Labnumber: NIG-P2040; SBI_ID: SBI-021017
Synonyms	methyl 2-{[{2-[3-(2-amino-2-oxoethoxy)benzylidene]hydrazino}(oxo)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Temperature	318 °C