For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

ethyl 2-{[[(2E)-2-(2-methoxybenzylidene)hydrazino](oxo)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

View entire compound with spectra: 2 NMR

ethyl 2-{[[(2E)-2-(2-methoxybenzylidene)hydrazino](oxo)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID BhlSGzsSiow
InChI InChI=1S/C22H25N3O5S/c1-3-30-22(28)18-15-10-5-4-6-12-17(15)31-21(18)24-19(26)20(27)25-23-13-14-9-7-8-11-16(14)29-2/h7-9,11,13H,3-6,10,12H2,1-2H3,(H,24,26)(H,25,27)/b23-13+
InChIKey XCGZEZWNAJIUTN-YDZHTSKRSA-N
Mol Weight 443.52 g/mol
Molecular Formula C22H25N3O5S
Exact Mass 443.151492 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 5OoImJU7whY
Name Ethyl 2-{[[(2E)-2-(2-methoxybenzylidene)hydrazino](oxo)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[B]thiophene-3-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 443.151492086 u
Formula C22H25N3O5S
InChI InChI=1S/C22H25N3O5S/c1-3-30-22(28)18-15-10-5-4-6-12-17(15)31-21(18)24-19(26)20(27)25-23-13-14-9-7-8-11-16(14)29-2/h7-9,11,13H,3-6,10,12H2,1-2H3,(H,24,26)(H,25,27)/b23-13+
InChIKey XCGZEZWNAJIUTN-YDZHTSKRSA-N
Molecular Weight 443.518 g/mol
SMILES N(C1=C(C=2CCCCCC2S1)C(=O)OCC)C(C(N\N=C\C=1C(OC)=CC=CC1)=O)=O