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

Systemtic Name: [1-(4-tert-butylphenoxy)-3-butylsulfonyl-propan-2-yl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate Openeye Name: [1-[(4-tert-butylphenoxy)methyl]-2-butylsulfonyl-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid [1-(4-tert-butylphenoxy)-3-butylsulfonylpropan-2-yl] ester IUPAC Name: [1-(4-tert-butylphenoxy)-3-butylsulfonylpropan-2-yl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid [1-[(4-tert-butylphenoxy)methyl]-2-butylsulfonyl-ethyl] ester Formula: C25H36N2O5S2 MolecularWeight: 508.69374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N2O5S2/c1-7-8-13-34(29,30)17-22(15-31-21-11-9-20(10-12-21)25(4,5)6)32-23(28)16-33-24-26-18(2)14-19(3)27-24/h9-12,14,22H,7-8,13,15-17H2,1-6H3