[(2S)-1-[(S)-butylsulfinyl]-3-phenylmethoxy-propan-2-yl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate

Systemtic Name: [(2S)-1-[(S)-butylsulfinyl]-3-phenylmethoxy-propan-2-yl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate Openeye Name: [(1S)-1-(benzyloxymethyl)-2-[(S)-butylsulfinyl]ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid [(2S)-1-[(S)-butylsulfinyl]-3-phenylmethoxypropan-2-yl] ester IUPAC Name: [(2S)-1-[(S)-butylsulfinyl]-3-phenylmethoxypropan-2-yl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid [(1S)-1-(benzoxymethyl)-2-[(S)-butylsulfinyl]ethyl] ester Formula: C22H30N2O4S2 MolecularWeight: 450.6146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC[S@](=O)C[C@H](COCC1=CC=CC=C1)OC(=O)CSC2=NC(=CC(=N2)C)C

InChI

InChI=1S/C22H30N2O4S2/c1-4-5-11-30(26)16-20(14-27-13-19-9-7-6-8-10-19)28-21(25)15-29-22-23-17(2)12-18(3)24-22/h6-10,12,20H,4-5,11,13-16H2,1-3H3/t20-,30-/m0/s1