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Ethyl 4-methyl-2-[(3-phenylpropanoyl)amino]-5-(2-toluidinocarbonyl)-3-thiophenecarboxylate

View entire compound with spectra: 3 NMR

Ethyl 4-methyl-2-[(3-phenylpropanoyl)amino]-5-(2-toluidinocarbonyl)-3-thiophenecarboxylate
SpectraBase Compound ID AHaB4WHT9x7
InChI InChI=1S/C25H26N2O4S/c1-4-31-25(30)21-17(3)22(23(29)26-19-13-9-8-10-16(19)2)32-24(21)27-20(28)15-14-18-11-6-5-7-12-18/h5-13H,4,14-15H2,1-3H3,(H,26,29)(H,27,28)
InChIKey TVLWKXZIALXACK-UHFFFAOYSA-N
Mol Weight 450.55 g/mol
Molecular Formula C25H26N2O4S
Exact Mass 450.161328 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FAu3S9JqH2
Name Ethyl 4-methyl-2-[(3-phenylpropanoyl)amino]-5-(2-toluidinocarbonyl)-3-thiophenecarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 450.161328495 u
Formula C25H26N2O4S
InChI InChI=1S/C25H26N2O4S/c1-4-31-25(30)21-17(3)22(23(29)26-19-13-9-8-10-16(19)2)32-24(21)27-20(28)15-14-18-11-6-5-7-12-18/h5-13H,4,14-15H2,1-3H3,(H,26,29)(H,27,28)
InChIKey TVLWKXZIALXACK-UHFFFAOYSA-N
Molecular Weight 450.553 g/mol
SMILES N(C(C1=C(C(=C(S1)NC(CCC1=CC=CC=C1)=O)C(=O)OCC)C)=O)C1=CC=CC=C1C