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4-[o-(p-Chlorobenzamido)anilino]-2,5-dihydro-3-thiophenecarboxylic acid, methyl ester

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

4-[o-(p-Chlorobenzamido)anilino]-2,5-dihydro-3-thiophenecarboxylic acid, methyl ester
SpectraBase Compound ID 73aUqnPWaPQ
InChI InChI=1S/C19H17ClN2O3S/c1-25-19(24)14-10-26-11-17(14)21-15-4-2-3-5-16(15)22-18(23)12-6-8-13(20)9-7-12/h2-9,21H,10-11H2,1H3,(H,22,23)
InChIKey DLLLORAGQHGARH-UHFFFAOYSA-N
Mol Weight 388.87 g/mol
Molecular Formula C19H17ClN2O3S
Exact Mass 388.064841 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9eiwl4cngL9
Name 4-[o-(p-Chlorobenzamido)anilino]-2,5-dihydro-3-thiophenecarboxylic acid, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 388.064841286 u
Formula C19H17ClN2O3S
InChI InChI=1S/C19H17ClN2O3S/c1-25-19(24)14-10-26-11-17(14)21-15-4-2-3-5-16(15)22-18(23)12-6-8-13(20)9-7-12/h2-9,21H,10-11H2,1H3,(H,22,23)
InChIKey DLLLORAGQHGARH-UHFFFAOYSA-N
Molecular Weight 388.869 g/mol
SMILES N(C=1C(=CC=CC1)NC(C=1C=CC(=CC1)Cl)=O)C1=C(CSC1)C(OC)=O