[4-[(2R,3R)-3-acetyloxy-2-[(4-methylphenyl)sulfonyl-methylsulfanyl-methyl]butanoyl]phenyl] ethanoate

Systemtic Name: [4-[(2R,3R)-3-acetyloxy-2-[(4-methylphenyl)sulfonyl-methylsulfanyl-methyl]butanoyl]phenyl] ethanoate Openeye Name: [4-[(2R,3R)-3-acetoxy-2-[methylsulfanyl(p-tolylsulfonyl)methyl]butanoyl]phenyl] acetate CAS Name: acetic acid [4-[(2R,3R)-3-acetyloxy-2-[(4-methylphenyl)sulfonyl-(methylthio)methyl]-1-oxobutyl]phenyl] ester IUPAC Name: [4-[(2R,3R)-3-acetyloxy-2-[(4-methylphenyl)sulfonyl-methylsulfanylmethyl]butanoyl]phenyl] acetate Traditional Name: acetic acid [4-[(2R,3R)-3-acetoxy-2-[(methylthio)-tosyl-methyl]butanoyl]phenyl] ester Formula: C23H26O7S2 MolecularWeight: 478.57834

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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)C2=CC=C(C=C2)OC(=O)C)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C([C@H]([C@@H](C)OC(=O)C)C(=O)C2=CC=C(C=C2)OC(=O)C)SC

InChI

InChI=1S/C23H26O7S2/c1-14-6-12-20(13-7-14)32(27,28)23(31-5)21(15(2)29-16(3)24)22(26)18-8-10-19(11-9-18)30-17(4)25/h6-13,15,21,23H,1-5H3/t15-,21-,23?/m1/s1