[(2S,3R)-2-(phenylcarbonyloxymethyl)-5-(phenylmethylsulfanyl)thiolan-3-yl]methyl benzoate

Systemtic Name: [(2S,3R)-2-(phenylcarbonyloxymethyl)-5-(phenylmethylsulfanyl)thiolan-3-yl]methyl benzoate Openeye Name: [(2S,3R)-2-(benzoyloxymethyl)-5-benzylsulfanyl-tetrahydrothiophen-3-yl]methyl benzoate CAS Name: benzoic acid [(2S,3R)-2-(benzoyloxymethyl)-5-(phenylmethylthio)-3-thiolanyl]methyl ester IUPAC Name: [(2S,3R)-2-(benzoyloxymethyl)-5-benzylsulfanylthiolan-3-yl]methyl benzoate Traditional Name: benzoic acid [(2S,3R)-2-(benzoyloxymethyl)-5-(benzylthio)tetrahydrothiophen-3-yl]methyl ester Formula: C27H26O4S2 MolecularWeight: 478.62294

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(SC1SCC2=CC=CC=C2)COC(=O)C3=CC=CC=C3)COC(=O)C4=CC=CC=C4

Isomeric SMILES

C1[C@@H]([C@H](SC1SCC2=CC=CC=C2)COC(=O)C3=CC=CC=C3)COC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H26O4S2/c28-26(21-12-6-2-7-13-21)30-17-23-16-25(32-19-20-10-4-1-5-11-20)33-24(23)18-31-27(29)22-14-8-3-9-15-22/h1-15,23-25H,16-19H2/t23-,24-,25?/m1/s1