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

Systemtic Name: methyl 4-chloranyl-2-[2-[3-cyano-6-(2,4-dimethoxyphenyl)pyridin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4-chloro-2-[[2-[[3-cyano-6-(2,4-dimethoxyphenyl)-2-pyridyl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-chloro-2-[[2-[[3-cyano-6-(2,4-dimethoxyphenyl)-2-pyridinyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-2-[[2-[3-cyano-6-(2,4-dimethoxyphenyl)pyridin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-chloro-2-[[2-[[3-cyano-6-(2,4-dimethoxyphenyl)-2-pyridyl]thio]acetyl]amino]benzoic acid methyl ester Formula: C24H20ClN3O5S MolecularWeight: 497.9507

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NC(=C(C=C2)C#N)SCC(=O)NC3=C(C=CC(=C3)Cl)C(=O)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NC(=C(C=C2)C#N)SCC(=O)NC3=C(C=CC(=C3)Cl)C(=O)OC)OC

InChI

InChI=1S/C24H20ClN3O5S/c1-31-16-6-8-17(21(11-16)32-2)19-9-4-14(12-26)23(28-19)34-13-22(29)27-20-10-15(25)5-7-18(20)24(30)33-3/h4-11H,13H2,1-3H3,(H,27,29)