[(2R,3R)-3-[(4-methylphenyl)sulfonyl-methylsulfanyl-methyl]-4-oxidanylidene-pentan-2-yl] ethanoate

Systemtic Name: [(2R,3R)-3-[(4-methylphenyl)sulfonyl-methylsulfanyl-methyl]-4-oxidanylidene-pentan-2-yl] ethanoate Openeye Name: [(1R,2R)-1-methyl-2-[methylsulfanyl(p-tolylsulfonyl)methyl]-3-oxo-butyl] acetate CAS Name: acetic acid [(2R,3R)-3-[(4-methylphenyl)sulfonyl-(methylthio)methyl]-4-oxopentan-2-yl] ester IUPAC Name: [(2R,3R)-3-[(4-methylphenyl)sulfonyl-methylsulfanylmethyl]-4-oxopentan-2-yl] acetate Traditional Name: acetic acid [(1R,2R)-3-keto-1-methyl-2-[(methylthio)-tosyl-methyl]butyl] ester Formula: C16H22O5S2 MolecularWeight: 358.47288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(C(C(C)OC(=O)C)C(=O)C)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C([C@H]([C@@H](C)OC(=O)C)C(=O)C)SC

InChI

InChI=1S/C16H22O5S2/c1-10-6-8-14(9-7-10)23(19,20)16(22-5)15(11(2)17)12(3)21-13(4)18/h6-9,12,15-16H,1-5H3/t12-,15+,16?/m1/s1