[(2R)-2-[(4-methylphenyl)sulfanylmethyl]-2-oxidanyl-3-[(2S)-2-phenylpropanoyl]oxy-propyl] benzoate

Systemtic Name: [(2R)-2-[(4-methylphenyl)sulfanylmethyl]-2-oxidanyl-3-[(2S)-2-phenylpropanoyl]oxy-propyl] benzoate Openeye Name: [(2R)-2-hydroxy-2-[[(2S)-2-phenylpropanoyl]oxymethyl]-3-(p-tolylsulfanyl)propyl] benzoate CAS Name: benzoic acid [(2R)-2-hydroxy-2-[[(4-methylphenyl)thio]methyl]-3-[(2S)-1-oxo-2-phenylpropoxy]propyl] ester IUPAC Name: [(2R)-2-hydroxy-2-[(4-methylphenyl)sulfanylmethyl]-3-[(2S)-2-phenylpropanoyl]oxypropyl] benzoate Traditional Name: benzoic acid [(2R)-2-hydroxy-2-[[(2S)-2-phenylpropanoyl]oxymethyl]-3-(p-tolylthio)propyl] ester Formula: C27H28O5S MolecularWeight: 464.57322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(COC(=O)C2=CC=CC=C2)(COC(=O)C(C)C3=CC=CC=C3)O

Isomeric SMILES

CC1=CC=C(C=C1)SC[C@](COC(=O)C2=CC=CC=C2)(COC(=O)[C@@H](C)C3=CC=CC=C3)O

InChI

InChI=1S/C27H28O5S/c1-20-13-15-24(16-14-20)33-19-27(30,18-32-26(29)23-11-7-4-8-12-23)17-31-25(28)21(2)22-9-5-3-6-10-22/h3-16,21,30H,17-19H2,1-2H3/t21-,27+/m0/s1