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

Systemtic Name: methyl 2-[3-[6-(4-chlorophenyl)-3-cyano-pyridin-2-yl]sulfanylpropanoylamino]benzoate Openeye Name: methyl 2-[3-[[6-(4-chlorophenyl)-3-cyano-2-pyridyl]sulfanyl]propanoylamino]benzoate CAS Name: 2-[[3-[[6-(4-chlorophenyl)-3-cyano-2-pyridinyl]thio]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[3-[6-(4-chlorophenyl)-3-cyanopyridin-2-yl]sulfanylpropanoylamino]benzoate Traditional Name: 2-[3-[[6-(4-chlorophenyl)-3-cyano-2-pyridyl]thio]propanoylamino]benzoic acid methyl ester Formula: C23H18ClN3O3S MolecularWeight: 451.92532

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CCSC2=C(C=CC(=N2)C3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CCSC2=C(C=CC(=N2)C3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C23H18ClN3O3S/c1-30-23(29)18-4-2-3-5-20(18)26-21(28)12-13-31-22-16(14-25)8-11-19(27-22)15-6-9-17(24)10-7-15/h2-11H,12-13H2,1H3,(H,26,28)