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Ethyl 2-{[(3,4-dimethylphenoxy)acetyl]amino}-4-(1-naphthyl)-3-thiophenecarboxylate

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Ethyl 2-{[(3,4-dimethylphenoxy)acetyl]amino}-4-(1-naphthyl)-3-thiophenecarboxylate
SpectraBase Compound ID 1fCyHG2dL6a
InChI InChI=1S/C27H25NO4S/c1-4-31-27(30)25-23(22-11-7-9-19-8-5-6-10-21(19)22)16-33-26(25)28-24(29)15-32-20-13-12-17(2)18(3)14-20/h5-14,16H,4,15H2,1-3H3,(H,28,29)
InChIKey SNCKBRDWOOWOEF-UHFFFAOYSA-N
Mol Weight 459.56 g/mol
Molecular Formula C27H25NO4S
Exact Mass 459.150429 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JXS4XpRAkre
Name Ethyl 2-{[(3,4-dimethylphenoxy)acetyl]amino}-4-(1-naphthyl)-3-thiophenecarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 459.150429459 u
Formula C27H25NO4S
InChI InChI=1S/C27H25NO4S/c1-4-31-27(30)25-23(22-11-7-9-19-8-5-6-10-21(19)22)16-33-26(25)28-24(29)15-32-20-13-12-17(2)18(3)14-20/h5-14,16H,4,15H2,1-3H3,(H,28,29)
InChIKey SNCKBRDWOOWOEF-UHFFFAOYSA-N
Molecular Weight 459.560 g/mol
SMILES N(C1=C(C(=CS1)C1=C2C(C=CC=C2)=CC=C1)C(=O)OCC)C(=O)COC1=CC(C)=C(C=C1)C