[(2R,3S)-2-methyl-1-(4-methylphenyl)sulfonyloxy-heptan-3-yl] 2-methylsulfanylpropanoate

Systemtic Name: [(2R,3S)-2-methyl-1-(4-methylphenyl)sulfonyloxy-heptan-3-yl] 2-methylsulfanylpropanoate Openeye Name: [(1S)-1-[(1R)-1-methyl-2-(p-tolylsulfonyloxy)ethyl]pentyl] 2-methylsulfanylpropanoate CAS Name: 2-(methylthio)propanoic acid [(2R,3S)-2-methyl-1-(4-methylphenyl)sulfonyloxyheptan-3-yl] ester IUPAC Name: [(2R,3S)-2-methyl-1-(4-methylphenyl)sulfonyloxyheptan-3-yl] 2-methylsulfanylpropanoate Traditional Name: 2-(methylthio)propionic acid [(1S)-1-[(1R)-1-methyl-2-tosyloxy-ethyl]pentyl] ester Formula: C19H30O5S2 MolecularWeight: 402.5685

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C)COS(=O)(=O)C1=CC=C(C=C1)C)OC(=O)C(C)SC

Isomeric SMILES

CCCC[C@@H]([C@H](C)COS(=O)(=O)C1=CC=C(C=C1)C)OC(=O)C(C)SC

InChI

InChI=1S/C19H30O5S2/c1-6-7-8-18(24-19(20)16(4)25-5)15(3)13-23-26(21,22)17-11-9-14(2)10-12-17/h9-12,15-16,18H,6-8,13H2,1-5H3/t15-,16?,18+/m1/s1