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

Systemtic Name: (1-butylsulfonyl-3-phenylmethoxy-propan-2-yl) 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate Openeye Name: [1-(benzyloxymethyl)-2-butylsulfonyl-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid (1-butylsulfonyl-3-phenylmethoxypropan-2-yl) ester IUPAC Name: (1-butylsulfonyl-3-phenylmethoxypropan-2-yl) 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid [1-(benzoxymethyl)-2-butylsulfonyl-ethyl] ester Formula: C22H30N2O5S2 MolecularWeight: 466.614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O5S2/c1-4-5-11-31(26,27)16-20(14-28-13-19-9-7-6-8-10-19)29-21(25)15-30-22-23-17(2)12-18(3)24-22/h6-10,12,20H,4-5,11,13-16H2,1-3H3