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

Systemtic Name: (1-butylsulfonyl-3-phenoxy-propan-2-yl) 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate Openeye Name: [1-(butylsulfonylmethyl)-2-phenoxy-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid (1-butylsulfonyl-3-phenoxypropan-2-yl) ester IUPAC Name: (1-butylsulfonyl-3-phenoxypropan-2-yl) 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid [1-(butylsulfonylmethyl)-2-phenoxy-ethyl] ester Formula: C21H28N2O5S2 MolecularWeight: 452.58742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O5S2/c1-4-5-11-30(25,26)15-19(13-27-18-9-7-6-8-10-18)28-20(24)14-29-21-22-16(2)12-17(3)23-21/h6-10,12,19H,4-5,11,13-15H2,1-3H3