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

View entire compound with spectra: 2 NMR

methyl 2-({oxo[(2E)-2-(3,4,5-trimethoxybenzylidene)hydrazino]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 2sKpDSVszrD
InChI InChI=1S/C22H25N3O7S/c1-29-14-9-12(10-15(30-2)18(14)31-3)11-23-25-20(27)19(26)24-21-17(22(28)32-4)13-7-5-6-8-16(13)33-21/h9-11H,5-8H2,1-4H3,(H,24,26)(H,25,27)/b23-11+
InChIKey KEPMPTGZGPRXTF-FOKLQQMPSA-N
Mol Weight 475.52 g/mol
Molecular Formula C22H25N3O7S
Exact Mass 475.141321 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6CJnEC4ery7
Name Methyl 2-({oxo[(2E)-2-(3,4,5-trimethoxybenzylidene)hydrazino]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 475.141321324 u
Formula C22H25N3O7S
InChI InChI=1S/C22H25N3O7S/c1-29-14-9-12(10-15(30-2)18(14)31-3)11-23-25-20(27)19(26)24-21-17(22(28)32-4)13-7-5-6-8-16(13)33-21/h9-11H,5-8H2,1-4H3,(H,24,26)(H,25,27)/b23-11+
InChIKey KEPMPTGZGPRXTF-FOKLQQMPSA-N
Molecular Weight 475.516 g/mol
SMILES N(C1=C(C=2CCCCC2S1)C(=O)OC)C(C(N\N=C\C=1C=C(OC)C(=C(C1)OC)OC)=O)=O