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

View entire compound with spectra: 2 NMR

methyl 2-{[{(2E)-2-[4-(diethylamino)benzylidene]hydrazino}(oxo)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 202i5xHNQB7
InChI InChI=1S/C23H28N4O4S/c1-4-27(5-2)16-12-10-15(11-13-16)14-24-26-21(29)20(28)25-22-19(23(30)31-3)17-8-6-7-9-18(17)32-22/h10-14H,4-9H2,1-3H3,(H,25,28)(H,26,29)/b24-14+
InChIKey ZOVSDQMTYUELTB-ZVHZXABRSA-N
Mol Weight 456.56 g/mol
Molecular Formula C23H28N4O4S
Exact Mass 456.183127 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ANrzXRZ7ony
Name Methyl 2-{[{(2E)-2-[4-(diethylamino)benzylidene]hydrazino}(oxo)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 456.183126568 u
Formula C23H28N4O4S
InChI InChI=1S/C23H28N4O4S/c1-4-27(5-2)16-12-10-15(11-13-16)14-24-26-21(29)20(28)25-22-19(23(30)31-3)17-8-6-7-9-18(17)32-22/h10-14H,4-9H2,1-3H3,(H,25,28)(H,26,29)/b24-14+
InChIKey ZOVSDQMTYUELTB-ZVHZXABRSA-N
Molecular Weight 456.561 g/mol
SMILES N(C1=C(C=2CCCCC2S1)C(=O)OC)C(C(N\N=C\C1=CC=C(C=C1)N(CC)CC)=O)=O