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ethyl 2-{[{(2E)-2-[1-(4-fluorophenyl)ethylidene]hydrazino}(oxo)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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ethyl 2-{[{(2E)-2-[1-(4-fluorophenyl)ethylidene]hydrazino}(oxo)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID FGzDoOv8cjW
InChI InChI=1S/C21H22FN3O4S/c1-3-29-21(28)17-15-6-4-5-7-16(15)30-20(17)23-18(26)19(27)25-24-12(2)13-8-10-14(22)11-9-13/h8-11H,3-7H2,1-2H3,(H,23,26)(H,25,27)/b24-12+
InChIKey XZUVZAPMSDHPGW-WYMPLXKRSA-N
Mol Weight 431.48 g/mol
Molecular Formula C21H22FN3O4S
Exact Mass 431.131506 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 52w4m54wgBS
Name ethyl 2-{[{(2E)-2-[1-(4-fluorophenyl)ethylidene]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/C21H22FN3O4S/c1-3-29-21(28)17-15-6-4-5-7-16(15)30-20(17)23-18(26)19(27)25-24-12(2)13-8-10-14(22)11-9-13/h8-11H,3-7H2,1-2H3,(H,23,26)(H,25,27)/b24-12+
InChIKey XZUVZAPMSDHPGW-WYMPLXKRSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_21190
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: D51878; Labnumber: NIG-P0079; SBI_ID: SBI-021194
Synonyms ethyl 2-{[{2-[1-(4-fluorophenyl)ethylidene]hydrazino}(oxo)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Temperature 318 °C