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

Systemtic Name: [1-butylsulfonyl-3-[(4-chlorophenyl)methoxy]propan-2-yl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate Openeye Name: [1-(butylsulfonylmethyl)-2-[(4-chlorophenyl)methoxy]ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid [1-butylsulfonyl-3-[(4-chlorophenyl)methoxy]propan-2-yl] ester IUPAC Name: [1-butylsulfonyl-3-[(4-chlorophenyl)methoxy]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-chlorobenzyl)oxy-ethyl] ester Formula: C22H29ClN2O5S2 MolecularWeight: 501.05906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)CC(COCC1=CC=C(C=C1)Cl)OC(=O)CSC2=NC(=CC(=N2)C)C

Isomeric SMILES

CCCCS(=O)(=O)CC(COCC1=CC=C(C=C1)Cl)OC(=O)CSC2=NC(=CC(=N2)C)C

InChI

InChI=1S/C22H29ClN2O5S2/c1-4-5-10-32(27,28)15-20(13-29-12-18-6-8-19(23)9-7-18)30-21(26)14-31-22-24-16(2)11-17(3)25-22/h6-9,11,20H,4-5,10,12-15H2,1-3H3