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ethyl 2-{[[(2E)-2-(2,5-dimethoxybenzylidene)hydrazino](oxo)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

View entire compound with spectra: 2 NMR

ethyl 2-{[[(2E)-2-(2,5-dimethoxybenzylidene)hydrazino](oxo)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SpectraBase Compound ID 8QU2Ut2ZVYZ
InChI InChI=1S/C21H23N3O6S/c1-4-30-21(27)17-14-6-5-7-16(14)31-20(17)23-18(25)19(26)24-22-11-12-10-13(28-2)8-9-15(12)29-3/h8-11H,4-7H2,1-3H3,(H,23,25)(H,24,26)/b22-11+
InChIKey KRHIMJFHTPUFLF-SSDVNMTOSA-N
Mol Weight 445.49 g/mol
Molecular Formula C21H23N3O6S
Exact Mass 445.130757 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DlfoX2mlthf
Name Ethyl 2-{[[(2E)-2-(2,5-dimethoxybenzylidene)hydrazino](oxo)acetyl]amino}-5,6-dihydro-4H-cyclopenta[B]thiophene-3-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 445.130756641 u
Formula C21H23N3O6S
InChI InChI=1S/C21H23N3O6S/c1-4-30-21(27)17-14-6-5-7-16(14)31-20(17)23-18(25)19(26)24-22-11-12-10-13(28-2)8-9-15(12)29-3/h8-11H,4-7H2,1-3H3,(H,23,25)(H,24,26)/b22-11+
InChIKey KRHIMJFHTPUFLF-SSDVNMTOSA-N
Molecular Weight 445.490 g/mol
SMILES N(C1=C(C=2CCCC2S1)C(=O)OCC)C(C(N\N=C\C=1C(=CC=C(C1)OC)OC)=O)=O