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

Systemtic Name: methyl 4-[2-[6-(4-chlorophenyl)-3-cyano-4-phenyl-pyridin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[[6-(4-chlorophenyl)-3-cyano-4-phenyl-2-pyridyl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[6-(4-chlorophenyl)-3-cyano-4-phenyl-2-pyridinyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[6-(4-chlorophenyl)-3-cyano-4-phenylpyridin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[6-(4-chlorophenyl)-3-cyano-4-phenyl-2-pyridyl]thio]acetyl]amino]benzoic acid methyl ester Formula: C28H20ClN3O3S MolecularWeight: 513.9947

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C#N

InChI

InChI=1S/C28H20ClN3O3S/c1-35-28(34)20-9-13-22(14-10-20)31-26(33)17-36-27-24(16-30)23(18-5-3-2-4-6-18)15-25(32-27)19-7-11-21(29)12-8-19/h2-15H,17H2,1H3,(H,31,33)