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

Systemtic Name: methyl 4-[2-[4-(2-chlorophenyl)-3-cyano-6-phenyl-pyridin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[[4-(2-chlorophenyl)-3-cyano-6-phenyl-2-pyridyl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[4-(2-chlorophenyl)-3-cyano-6-phenyl-2-pyridinyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-(2-chlorophenyl)-3-cyano-6-phenylpyridin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[4-(2-chlorophenyl)-3-cyano-6-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=CC=C3)C4=CC=CC=C4Cl)C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4Cl)C#N

InChI

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