(1-butylsulfonyl-3-phenoxy-propan-2-yl) 2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylethanoate

Systemtic Name: (1-butylsulfonyl-3-phenoxy-propan-2-yl) 2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylethanoate Openeye Name: [1-(butylsulfonylmethyl)-2-phenoxy-ethyl] 2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]acetate CAS Name: 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]acetic acid (1-butylsulfonyl-3-phenoxypropan-2-yl) ester IUPAC Name: (1-butylsulfonyl-3-phenoxypropan-2-yl) 2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylacetate Traditional Name: 2-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]acetic acid [1-(butylsulfonylmethyl)-2-phenoxy-ethyl] ester Formula: C23H28N2O5S2 MolecularWeight: 476.60882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O5S2/c1-4-5-11-32(27,28)16-20(14-29-19-9-7-6-8-10-19)30-22(26)15-31-23-21(13-24)17(2)12-18(3)25-23/h6-10,12,20H,4-5,11,14-16H2,1-3H3