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Ethyl 5-[(1,3-benzodioxol-5-ylamino)carbonyl]-2-[(2-fluorobenzoyl)amino]-4-methyl-3-thiophenecarboxylate

View entire compound with spectra: 2 NMR

Ethyl 5-[(1,3-benzodioxol-5-ylamino)carbonyl]-2-[(2-fluorobenzoyl)amino]-4-methyl-3-thiophenecarboxylate
SpectraBase Compound ID 46a2VxdYQuP
InChI InChI=1S/C23H19FN2O6S/c1-3-30-23(29)18-12(2)19(21(28)25-13-8-9-16-17(10-13)32-11-31-16)33-22(18)26-20(27)14-6-4-5-7-15(14)24/h4-10H,3,11H2,1-2H3,(H,25,28)(H,26,27)
InChIKey XCKXTNMAIXOUAI-UHFFFAOYSA-N
Mol Weight 470.47 g/mol
Molecular Formula C23H19FN2O6S
Exact Mass 470.094786 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2yq9tFNC02C
Name Ethyl 5-[(1,3-benzodioxol-5-ylamino)carbonyl]-2-[(2-fluorobenzoyl)amino]-4-methyl-3-thiophenecarboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 470.094785671 u
Formula C23H19FN2O6S
InChI InChI=1S/C23H19FN2O6S/c1-3-30-23(29)18-12(2)19(21(28)25-13-8-9-16-17(10-13)32-11-31-16)33-22(18)26-20(27)14-6-4-5-7-15(14)24/h4-10H,3,11H2,1-2H3,(H,25,28)(H,26,27)
InChIKey XCKXTNMAIXOUAI-UHFFFAOYSA-N
Molecular Weight 470.471 g/mol
SMILES N(C(C1=C(C(=C(S1)NC(C1=C(C=CC=C1)F)=O)C(=O)OCC)C)=O)C1=CC2=C(C=C1)OCO2