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ethyl 2-{[{(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazino}(oxo)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

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ethyl 2-{[{(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazino}(oxo)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID 8lKPgenRtR4
InChI InChI=1S/C23H27N3O5S/c1-4-31-23(29)19-17-8-6-5-7-9-18(17)32-22(19)24-20(27)21(28)26-25-14(2)15-10-12-16(30-3)13-11-15/h10-13H,4-9H2,1-3H3,(H,24,27)(H,26,28)/b25-14+
InChIKey HWDHSWJZBUGTCI-AFUMVMLFSA-N
Mol Weight 457.55 g/mol
Molecular Formula C23H27N3O5S
Exact Mass 457.167142 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 37OSdV5Oguq
Name Ethyl 2-{[{(2E)-2-[1-(4-methoxyphenyl)ethylidene]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 457.167142150 u
Formula C23H27N3O5S
InChI InChI=1S/C23H27N3O5S/c1-4-31-23(29)19-17-8-6-5-7-9-18(17)32-22(19)24-20(27)21(28)26-25-14(2)15-10-12-16(30-3)13-11-15/h10-13H,4-9H2,1-3H3,(H,24,27)(H,26,28)/b25-14+
InChIKey HWDHSWJZBUGTCI-AFUMVMLFSA-N
Molecular Weight 457.545 g/mol
SMILES N(C1=C(C=2CCCCCC2S1)C(=O)OCC)C(C(N\N=C\(C1=CC=C(C=C1)OC)C)=O)=O