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Ethyl 2-(benzoylamino)-4-methyl-5-(2-toluidinocarbonyl)-3-thiophenecarboxylate

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Ethyl 2-(benzoylamino)-4-methyl-5-(2-toluidinocarbonyl)-3-thiophenecarboxylate
SpectraBase Compound ID BCTBrX8v16H
InChI InChI=1S/C23H22N2O4S/c1-4-29-23(28)18-15(3)19(21(27)24-17-13-9-8-10-14(17)2)30-22(18)25-20(26)16-11-6-5-7-12-16/h5-13H,4H2,1-3H3,(H,24,27)(H,25,26)
InChIKey XZJXTDKMMXBNRG-UHFFFAOYSA-N
Mol Weight 422.5 g/mol
Molecular Formula C23H22N2O4S
Exact Mass 422.130028 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6NNDMEFVDhu
Name Ethyl 2-(benzoylamino)-4-methyl-5-(2-toluidinocarbonyl)-3-thiophenecarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 422.130028366 u
Formula C23H22N2O4S
InChI InChI=1S/C23H22N2O4S/c1-4-29-23(28)18-15(3)19(21(27)24-17-13-9-8-10-14(17)2)30-22(18)25-20(26)16-11-6-5-7-12-16/h5-13H,4H2,1-3H3,(H,24,27)(H,25,26)
InChIKey XZJXTDKMMXBNRG-UHFFFAOYSA-N
Molecular Weight 422.499 g/mol
SMILES N(C(C1=C(C(=C(S1)NC(=O)C=1C=CC=CC1)C(=O)OCC)C)=O)C1=CC=CC=C1C