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Propyl 2-[(4-chlorobenzoyl)amino]-4-(4-chlorophenyl)-5-methyl-3-thiophenecarboxylate

View entire compound with spectra: 2 NMR

Propyl 2-[(4-chlorobenzoyl)amino]-4-(4-chlorophenyl)-5-methyl-3-thiophenecarboxylate
SpectraBase Compound ID DCN2kG00WfU
InChI InChI=1S/C22H19Cl2NO3S/c1-3-12-28-22(27)19-18(14-4-8-16(23)9-5-14)13(2)29-21(19)25-20(26)15-6-10-17(24)11-7-15/h4-11H,3,12H2,1-2H3,(H,25,26)
InChIKey JNVLGZKCCOBTKT-UHFFFAOYSA-N
Mol Weight 448.36 g/mol
Molecular Formula C22H19Cl2NO3S
Exact Mass 447.04627 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 86srS6Zr7i2
Name Propyl 2-[(4-chlorobenzoyl)amino]-4-(4-chlorophenyl)-5-methyl-3-thiophenecarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 447.046270047 u
Formula C22H19Cl2NO3S
InChI InChI=1S/C22H19Cl2NO3S/c1-3-12-28-22(27)19-18(14-4-8-16(23)9-5-14)13(2)29-21(19)25-20(26)15-6-10-17(24)11-7-15/h4-11H,3,12H2,1-2H3,(H,25,26)
InChIKey JNVLGZKCCOBTKT-UHFFFAOYSA-N
Molecular Weight 448.364 g/mol
SMILES N(C1=C(C(=C(C)S1)C1=CC=C(C=C1)Cl)C(=O)OCCC)C(C=1C=CC(=CC1)Cl)=O