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Ethyl 2-[(3-fluorobenzoyl)amino]-5-[(4-methoxyanilino)carbonyl]-4-methyl-3-thiophenecarboxylate

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Ethyl 2-[(3-fluorobenzoyl)amino]-5-[(4-methoxyanilino)carbonyl]-4-methyl-3-thiophenecarboxylate
SpectraBase Compound ID 5lStOd72DUH
InChI InChI=1S/C23H21FN2O5S/c1-4-31-23(29)18-13(2)19(21(28)25-16-8-10-17(30-3)11-9-16)32-22(18)26-20(27)14-6-5-7-15(24)12-14/h5-12H,4H2,1-3H3,(H,25,28)(H,26,27)
InChIKey PKMDYDDJFVFNST-UHFFFAOYSA-N
Mol Weight 456.49 g/mol
Molecular Formula C23H21FN2O5S
Exact Mass 456.115521 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DiaOd8k2hIH
Name Ethyl 2-[(3-fluorobenzoyl)amino]-5-[(4-methoxyanilino)carbonyl]-4-methyl-3-thiophenecarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 456.115521116 u
Formula C23H21FN2O5S
InChI InChI=1S/C23H21FN2O5S/c1-4-31-23(29)18-13(2)19(21(28)25-16-8-10-17(30-3)11-9-16)32-22(18)26-20(27)14-6-5-7-15(24)12-14/h5-12H,4H2,1-3H3,(H,25,28)(H,26,27)
InChIKey PKMDYDDJFVFNST-UHFFFAOYSA-N
Molecular Weight 456.488 g/mol
SMILES N(C(C1=C(C(=C(S1)NC(=O)C=1C=C(C=CC1)F)C(=O)OCC)C)=O)C1=CC=C(C=C1)OC