[1-butylsulfonyl-3-(4-chloranylphenoxy)propan-2-yl] 2-[3-cyano-6-(4-methylphenyl)-4-phenyl-pyridin-2-yl]sulfanylethanoate

Systemtic Name: [1-butylsulfonyl-3-(4-chloranylphenoxy)propan-2-yl] 2-[3-cyano-6-(4-methylphenyl)-4-phenyl-pyridin-2-yl]sulfanylethanoate Openeye Name: [1-(butylsulfonylmethyl)-2-(4-chlorophenoxy)ethyl] 2-[[3-cyano-4-phenyl-6-(p-tolyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-6-(4-methylphenyl)-4-phenyl-2-pyridinyl]thio]acetic acid [1-butylsulfonyl-3-(4-chlorophenoxy)propan-2-yl] ester IUPAC Name: [1-butylsulfonyl-3-(4-chlorophenoxy)propan-2-yl] 2-[3-cyano-6-(4-methylphenyl)-4-phenylpyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-4-phenyl-6-(p-tolyl)-2-pyridyl]thio]acetic acid [1-(butylsulfonylmethyl)-2-(4-chlorophenoxy)ethyl] ester Formula: C34H33ClN2O5S2 MolecularWeight: 649.21922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)CC(COC1=CC=C(C=C1)Cl)OC(=O)CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)C)C4=CC=CC=C4)C#N

Isomeric SMILES

CCCCS(=O)(=O)CC(COC1=CC=C(C=C1)Cl)OC(=O)CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)C)C4=CC=CC=C4)C#N

InChI

InChI=1S/C34H33ClN2O5S2/c1-3-4-18-44(39,40)23-29(21-41-28-16-14-27(35)15-17-28)42-33(38)22-43-34-31(20-36)30(25-8-6-5-7-9-25)19-32(37-34)26-12-10-24(2)11-13-26/h5-17,19,29H,3-4,18,21-23H2,1-2H3