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

Systemtic Name: methyl 4-[2-[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridyl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridyl]thio]acetyl]amino]benzoic acid methyl ester Formula: C23H19N3O4S MolecularWeight: 433.47966

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=CC=C(C=C3)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H19N3O4S/c1-29-19-10-5-15(6-11-19)20-12-7-17(13-24)22(26-20)31-14-21(27)25-18-8-3-16(4-9-18)23(28)30-2/h3-12H,14H2,1-2H3,(H,25,27)