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

View entire compound with spectra: 2 NMR

ethyl 2-({oxo[(2E)-2-(3-phenylpropylidene)hydrazino]acetyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID LCe2hjzdWJK
InChI InChI=1S/C23H27N3O4S/c1-2-30-23(29)19-17-13-7-4-8-14-18(17)31-22(19)25-20(27)21(28)26-24-15-9-12-16-10-5-3-6-11-16/h3,5-6,10-11,15H,2,4,7-9,12-14H2,1H3,(H,25,27)(H,26,28)/b24-15+
InChIKey DFIGIVDLKJSBTF-BUVRLJJBSA-N
Mol Weight 441.55 g/mol
Molecular Formula C23H27N3O4S
Exact Mass 441.172228 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CfmSPQve5bL
Name Ethyl 2-({oxo[(2E)-2-(3-phenylpropylidene)hydrazino]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 441.172227531 u
Formula C23H27N3O4S
InChI InChI=1S/C23H27N3O4S/c1-2-30-23(29)19-17-13-7-4-8-14-18(17)31-22(19)25-20(27)21(28)26-24-15-9-12-16-10-5-3-6-11-16/h3,5-6,10-11,15H,2,4,7-9,12-14H2,1H3,(H,25,27)(H,26,28)/b24-15+
InChIKey DFIGIVDLKJSBTF-BUVRLJJBSA-N
Molecular Weight 441.546 g/mol
SMILES N(C1=C(C=2CCCCCC2S1)C(=O)OCC)C(C(N\N=C\CCC=1C=CC=CC1)=O)=O