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Methyl 4-(4-chlorophenyl)-2-[(phenoxyacetyl)amino]-3-thiophenecarboxylate

View entire compound with spectra: 2 NMR

Methyl 4-(4-chlorophenyl)-2-[(phenoxyacetyl)amino]-3-thiophenecarboxylate
SpectraBase Compound ID FHnbP06V8Ug
InChI InChI=1S/C20H16ClNO4S/c1-25-20(24)18-16(13-7-9-14(21)10-8-13)12-27-19(18)22-17(23)11-26-15-5-3-2-4-6-15/h2-10,12H,11H2,1H3,(H,22,23)
InChIKey QIZYGDAYZISWBS-UHFFFAOYSA-N
Mol Weight 401.86 g/mol
Molecular Formula C20H16ClNO4S
Exact Mass 401.048857 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E95aUsMXm5z
Name Methyl 4-(4-chlorophenyl)-2-[(phenoxyacetyl)amino]-3-thiophenecarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 401.048856869 u
Formula C20H16ClNO4S
InChI InChI=1S/C20H16ClNO4S/c1-25-20(24)18-16(13-7-9-14(21)10-8-13)12-27-19(18)22-17(23)11-26-15-5-3-2-4-6-15/h2-10,12H,11H2,1H3,(H,22,23)
InChIKey QIZYGDAYZISWBS-UHFFFAOYSA-N
Molecular Weight 401.864 g/mol
SMILES N(C1=C(C(=CS1)C=1C=CC(=CC1)Cl)C(=O)OC)C(=O)COC1=CC=CC=C1