ethyl 4-[3-[6-(4-chlorophenyl)-3-cyano-pyridin-2-yl]sulfanylpropanoylamino]benzoate

Systemtic Name: ethyl 4-[3-[6-(4-chlorophenyl)-3-cyano-pyridin-2-yl]sulfanylpropanoylamino]benzoate Openeye Name: ethyl 4-[3-[[6-(4-chlorophenyl)-3-cyano-2-pyridyl]sulfanyl]propanoylamino]benzoate CAS Name: 4-[[3-[[6-(4-chlorophenyl)-3-cyano-2-pyridinyl]thio]-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[6-(4-chlorophenyl)-3-cyanopyridin-2-yl]sulfanylpropanoylamino]benzoate Traditional Name: 4-[3-[[6-(4-chlorophenyl)-3-cyano-2-pyridyl]thio]propanoylamino]benzoic acid ethyl ester Formula: C24H20ClN3O3S MolecularWeight: 465.9519

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCSC2=C(C=CC(=N2)C3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCSC2=C(C=CC(=N2)C3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C24H20ClN3O3S/c1-2-31-24(30)17-5-10-20(11-6-17)27-22(29)13-14-32-23-18(15-26)7-12-21(28-23)16-3-8-19(25)9-4-16/h3-12H,2,13-14H2,1H3,(H,27,29)