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Methyl 2-{[(3,4-dichlorophenyl)acetyl]amino}-4-(4-methoxyphenyl)-5-methyl-3-thiophenecarboxylate

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Methyl 2-{[(3,4-dichlorophenyl)acetyl]amino}-4-(4-methoxyphenyl)-5-methyl-3-thiophenecarboxylate
SpectraBase Compound ID KAnVZOlH9fQ
InChI InChI=1S/C22H19Cl2NO4S/c1-12-19(14-5-7-15(28-2)8-6-14)20(22(27)29-3)21(30-12)25-18(26)11-13-4-9-16(23)17(24)10-13/h4-10H,11H2,1-3H3,(H,25,26)
InChIKey NCYTVHABUDFLTH-UHFFFAOYSA-N
Mol Weight 464.36 g/mol
Molecular Formula C22H19Cl2NO4S
Exact Mass 463.041185 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9XrAakjTqry
Name Methyl 2-{[(3,4-dichlorophenyl)acetyl]amino}-4-(4-methoxyphenyl)-5-methyl-3-thiophenecarboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 463.041184666 u
Formula C22H19Cl2NO4S
InChI InChI=1S/C22H19Cl2NO4S/c1-12-19(14-5-7-15(28-2)8-6-14)20(22(27)29-3)21(30-12)25-18(26)11-13-4-9-16(23)17(24)10-13/h4-10H,11H2,1-3H3,(H,25,26)
InChIKey NCYTVHABUDFLTH-UHFFFAOYSA-N
Molecular Weight 464.363 g/mol
SMILES N(C1=C(C(C2=CC=C(C=C2)OC)=C(S1)C)C(=O)OC)C(=O)CC1=CC(Cl)=C(C=C1)Cl