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

Systemtic Name: methyl 4-[2-[3-cyano-4-(4-methoxyphenyl)-6-(4-methylphenyl)pyridin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[[3-cyano-4-(4-methoxyphenyl)-6-(p-tolyl)-2-pyridyl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[3-cyano-4-(4-methoxyphenyl)-6-(4-methylphenyl)-2-pyridinyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[3-cyano-4-(4-methoxyphenyl)-6-(4-methylphenyl)pyridin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[3-cyano-4-(4-methoxyphenyl)-6-(p-tolyl)-2-pyridyl]thio]acetyl]amino]benzoic acid methyl ester Formula: C30H25N3O4S MolecularWeight: 523.6022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=C(C=C3)OC)C#N)SCC(=O)NC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=C(C=C3)OC)C#N)SCC(=O)NC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C30H25N3O4S/c1-19-4-6-21(7-5-19)27-16-25(20-10-14-24(36-2)15-11-20)26(17-31)29(33-27)38-18-28(34)32-23-12-8-22(9-13-23)30(35)37-3/h4-16H,18H2,1-3H3,(H,32,34)