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

Systemtic Name: (1-butylsulfonyl-3-prop-2-enoxy-propan-2-yl) 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate Openeye Name: [1-(allyloxymethyl)-2-butylsulfonyl-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid (1-butylsulfonyl-3-prop-2-enoxypropan-2-yl) ester IUPAC Name: (1-butylsulfonyl-3-prop-2-enoxypropan-2-yl) 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid [1-(allyloxymethyl)-2-butylsulfonyl-ethyl] ester Formula: C18H28N2O5S2 MolecularWeight: 416.55532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O5S2/c1-5-7-9-27(22,23)13-16(11-24-8-6-2)25-17(21)12-26-18-19-14(3)10-15(4)20-18/h6,10,16H,2,5,7-9,11-13H2,1,3-4H3