(4-ethylphenyl) 2-[3-cyano-6-(4-ethoxyphenyl)-4-phenyl-pyridin-2-yl]sulfanylethanoate

Systemtic Name: (4-ethylphenyl) 2-[3-cyano-6-(4-ethoxyphenyl)-4-phenyl-pyridin-2-yl]sulfanylethanoate Openeye Name: (4-ethylphenyl) 2-[[3-cyano-6-(4-ethoxyphenyl)-4-phenyl-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-6-(4-ethoxyphenyl)-4-phenyl-2-pyridinyl]thio]acetic acid (4-ethylphenyl) ester IUPAC Name: (4-ethylphenyl) 2-[3-cyano-6-(4-ethoxyphenyl)-4-phenylpyridin-2-yl]sulfanylacetate Traditional Name: 2-[(3-cyano-4-phenyl-6-p-phenetyl-2-pyridyl)thio]acetic acid (4-ethylphenyl) ester Formula: C30H26N2O3S MolecularWeight: 494.60404

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC(=O)CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)OCC)C4=CC=CC=C4)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)OC(=O)CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)OCC)C4=CC=CC=C4)C#N

InChI

InChI=1S/C30H26N2O3S/c1-3-21-10-14-25(15-11-21)35-29(33)20-36-30-27(19-31)26(22-8-6-5-7-9-22)18-28(32-30)23-12-16-24(17-13-23)34-4-2/h5-18H,3-4,20H2,1-2H3