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4-Ethyl 2-methyl 3-methyl-5-[(4-toluidinocarbonyl)amino]-2,4-thiophenedicarboxylate
SpectraBase Compound ID 5zCKDBQXwT2
InChI InChI=1S/C18H20N2O5S/c1-5-25-16(21)13-11(3)14(17(22)24-4)26-15(13)20-18(23)19-12-8-6-10(2)7-9-12/h6-9H,5H2,1-4H3,(H2,19,20,23)
InChIKey IAOWOVSWIIWRID-UHFFFAOYSA-N
Mol Weight 376.43 g/mol
Molecular Formula C18H20N2O5S
Exact Mass 376.109293 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6SBXKqdgnzf
Name 4-Ethyl 2-methyl 3-methyl-5-[(4-toluidinocarbonyl)amino]-2,4-thiophenedicarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 376.109292921 u
Formula C18H20N2O5S
InChI InChI=1S/C18H20N2O5S/c1-5-25-16(21)13-11(3)14(17(22)24-4)26-15(13)20-18(23)19-12-8-6-10(2)7-9-12/h6-9H,5H2,1-4H3,(H2,19,20,23)
InChIKey IAOWOVSWIIWRID-UHFFFAOYSA-N
Molecular Weight 376.427 g/mol
SMILES N(C1=C(C(=C(C(=O)OC)S1)C)C(=O)OCC)C(NC1=CC=C(C)C=C1)=O