(1-butylsulfonyl-3-propan-2-yloxy-propan-2-yl) 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate

Systemtic Name: (1-butylsulfonyl-3-propan-2-yloxy-propan-2-yl) 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate Openeye Name: [1-(butylsulfonylmethyl)-2-isopropoxy-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid (1-butylsulfonyl-3-propan-2-yloxypropan-2-yl) ester IUPAC Name: (1-butylsulfonyl-3-propan-2-yloxypropan-2-yl) 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid [1-(butylsulfonylmethyl)-2-isopropoxy-ethyl] ester Formula: C18H30N2O5S2 MolecularWeight: 418.5712

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)CC(COC(C)C)OC(=O)CSC1=NC(=CC(=N1)C)C

Isomeric SMILES

CCCCS(=O)(=O)CC(COC(C)C)OC(=O)CSC1=NC(=CC(=N1)C)C

InChI

InChI=1S/C18H30N2O5S2/c1-6-7-8-27(22,23)12-16(10-24-13(2)3)25-17(21)11-26-18-19-14(4)9-15(5)20-18/h9,13,16H,6-8,10-12H2,1-5H3