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

Systemtic Name: [1-butylsulfonyl-3-(4-chloranylphenoxy)propan-2-yl] 2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylethanoate Openeye Name: [1-(butylsulfonylmethyl)-2-(4-chlorophenoxy)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-(4-chlorophenoxy)propan-2-yl] ester IUPAC Name: [1-butylsulfonyl-3-(4-chlorophenoxy)propan-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-(4-chlorophenoxy)ethyl] ester Formula: C23H27ClN2O5S2 MolecularWeight: 511.05388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27ClN2O5S2/c1-4-5-10-33(28,29)15-20(13-30-19-8-6-18(24)7-9-19)31-22(27)14-32-23-21(12-25)16(2)11-17(3)26-23/h6-9,11,20H,4-5,10,13-15H2,1-3H3