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

Systemtic Name: methyl 2-[2-[4,6-bis(4-chlorophenyl)-3-cyano-pyridin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 2-[[2-[[4,6-bis(4-chlorophenyl)-3-cyano-2-pyridyl]sulfanyl]acetyl]amino]benzoate CAS Name: 2-[[2-[[4,6-bis(4-chlorophenyl)-3-cyano-2-pyridinyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[4,6-bis(4-chlorophenyl)-3-cyanopyridin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[[4,6-bis(4-chlorophenyl)-3-cyano-2-pyridyl]thio]acetyl]amino]benzoic acid methyl ester Formula: C28H19Cl2N3O3S MolecularWeight: 548.43976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)C#N

InChI

InChI=1S/C28H19Cl2N3O3S/c1-36-28(35)21-4-2-3-5-24(21)32-26(34)16-37-27-23(15-31)22(17-6-10-19(29)11-7-17)14-25(33-27)18-8-12-20(30)13-9-18/h2-14H,16H2,1H3,(H,32,34)