[1-butylsulfinyl-3-(4-chloranylphenoxy)propan-2-yl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate

Systemtic Name: [1-butylsulfinyl-3-(4-chloranylphenoxy)propan-2-yl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate Openeye Name: [1-(butylsulfinylmethyl)-2-(4-chlorophenoxy)ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid [1-butylsulfinyl-3-(4-chlorophenoxy)propan-2-yl] ester IUPAC Name: [1-butylsulfinyl-3-(4-chlorophenoxy)propan-2-yl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid [1-(butylsulfinylmethyl)-2-(4-chlorophenoxy)ethyl] ester Formula: C21H27ClN2O4S2 MolecularWeight: 471.03308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN2O4S2/c1-4-5-10-30(26)14-19(12-27-18-8-6-17(22)7-9-18)28-20(25)13-29-21-23-15(2)11-16(3)24-21/h6-9,11,19H,4-5,10,12-14H2,1-3H3