ethyl 4-[2-[3-cyano-6-(4-ethoxyphenyl)-4-phenyl-pyridin-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[3-cyano-6-(4-ethoxyphenyl)-4-phenyl-pyridin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[[3-cyano-6-(4-ethoxyphenyl)-4-phenyl-2-pyridyl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[3-cyano-6-(4-ethoxyphenyl)-4-phenyl-2-pyridinyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[3-cyano-6-(4-ethoxyphenyl)-4-phenylpyridin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(3-cyano-4-phenyl-6-p-phenetyl-2-pyridyl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C31H27N3O4S MolecularWeight: 537.62878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCC(=O)NC4=CC=C(C=C4)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCC(=O)NC4=CC=C(C=C4)C(=O)OCC

InChI

InChI=1S/C31H27N3O4S/c1-3-37-25-16-12-22(13-17-25)28-18-26(21-8-6-5-7-9-21)27(19-32)30(34-28)39-20-29(35)33-24-14-10-23(11-15-24)31(36)38-4-2/h5-18H,3-4,20H2,1-2H3,(H,33,35)