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

Systemtic Name: [1-butylsulfonyl-3-(4-chloranylphenoxy)propan-2-yl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate Openeye Name: [1-(butylsulfonylmethyl)-2-(4-chlorophenoxy)ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid [1-butylsulfonyl-3-(4-chlorophenoxy)propan-2-yl] ester IUPAC Name: [1-butylsulfonyl-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-(butylsulfonylmethyl)-2-(4-chlorophenoxy)ethyl] ester Formula: C21H27ClN2O5S2 MolecularWeight: 487.03248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN2O5S2/c1-4-5-10-31(26,27)14-19(12-28-18-8-6-17(22)7-9-18)29-20(25)13-30-21-23-15(2)11-16(3)24-21/h6-9,11,19H,4-5,10,12-14H2,1-3H3