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

Systemtic Name: methyl 4-[2-[3-cyano-4-(4-methoxyphenyl)-6-phenyl-pyridin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridyl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridyl]thio]acetyl]amino]benzoic acid methyl ester Formula: C29H23N3O4S MolecularWeight: 509.57562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)NC3=CC=C(C=C3)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)NC3=CC=C(C=C3)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C29H23N3O4S/c1-35-23-14-10-19(11-15-23)24-16-26(20-6-4-3-5-7-20)32-28(25(24)17-30)37-18-27(33)31-22-12-8-21(9-13-22)29(34)36-2/h3-16H,18H2,1-2H3,(H,31,33)