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Methyl 4-cyano-3-methyl-5-[(3,4,5-trimethoxybenzoyl)amino]-2-thiophenecarboxylate

View entire compound with spectra: 2 NMR

Methyl 4-cyano-3-methyl-5-[(3,4,5-trimethoxybenzoyl)amino]-2-thiophenecarboxylate
SpectraBase Compound ID 3ENopBEWAAh
InChI InChI=1S/C18H18N2O6S/c1-9-11(8-19)17(27-15(9)18(22)26-5)20-16(21)10-6-12(23-2)14(25-4)13(7-10)24-3/h6-7H,1-5H3,(H,20,21)
InChIKey SCMMLTOBZPFSRD-UHFFFAOYSA-N
Mol Weight 390.41 g/mol
Molecular Formula C18H18N2O6S
Exact Mass 390.088557 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9U5bII23Npf
Name Methyl 4-cyano-3-methyl-5-[(3,4,5-trimethoxybenzoyl)amino]-2-thiophenecarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 390.088557476 u
Formula C18H18N2O6S
InChI InChI=1S/C18H18N2O6S/c1-9-11(8-19)17(27-15(9)18(22)26-5)20-16(21)10-6-12(23-2)14(25-4)13(7-10)24-3/h6-7H,1-5H3,(H,20,21)
InChIKey SCMMLTOBZPFSRD-UHFFFAOYSA-N
Molecular Weight 390.410 g/mol
SMILES N(C1=C(C(C)=C(S1)C(=O)OC)C#N)C(C1=CC(=C(OC)C(=C1)OC)OC)=O