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5-[(2-Methoxyanilino)-oxomethyl]-4-methyl-2-[(1-oxo-2-phenoxyethyl)amino]-3-thiophenecarboxylic acid ethyl ester
SpectraBase Compound ID JtiOj2JDXIG
InChI InChI=1S/C24H24N2O6S/c1-4-31-24(29)20-15(2)21(22(28)25-17-12-8-9-13-18(17)30-3)33-23(20)26-19(27)14-32-16-10-6-5-7-11-16/h5-13H,4,14H2,1-3H3,(H,25,28)(H,26,27)
InChIKey KUZATJYVGJSONV-UHFFFAOYSA-N
Mol Weight 468.52 g/mol
Molecular Formula C24H24N2O6S
Exact Mass 468.135508 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2O8BgzeBqPf
Name 5-[(2-Methoxyanilino)-oxomethyl]-4-methyl-2-[(1-oxo-2-phenoxyethyl)amino]-3-thiophenecarboxylic acid ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 468.135507669 u
Formula C24H24N2O6S
InChI InChI=1S/C24H24N2O6S/c1-4-31-24(29)20-15(2)21(22(28)25-17-12-8-9-13-18(17)30-3)33-23(20)26-19(27)14-32-16-10-6-5-7-11-16/h5-13H,4,14H2,1-3H3,(H,25,28)(H,26,27)
InChIKey KUZATJYVGJSONV-UHFFFAOYSA-N
Molecular Weight 468.524 g/mol
SMILES C1(=C(C(C)=C(S1)C(NC=1C(OC)=CC=CC1)=O)C(=O)OCC)NC(=O)COC1=CC=CC=C1