[(2R,3S)-3-(4-methylphenyl)carbonyloxy-5-(phenylmethylsulfanyl)thiolan-2-yl]methyl 4-methylbenzoate

Systemtic Name: [(2R,3S)-3-(4-methylphenyl)carbonyloxy-5-(phenylmethylsulfanyl)thiolan-2-yl]methyl 4-methylbenzoate Openeye Name: [(2R,3S)-5-benzylsulfanyl-3-(4-methylbenzoyl)oxy-tetrahydrothiophen-2-yl]methyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid [(2R,3S)-3-[(4-methylphenyl)-oxomethoxy]-5-(phenylmethylthio)-2-thiolanyl]methyl ester IUPAC Name: [(2R,3S)-5-benzylsulfanyl-3-(4-methylbenzoyl)oxythiolan-2-yl]methyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [(2R,3S)-5-(benzylthio)-3-p-toluoyloxy-tetrahydrothiophen-2-yl]methyl ester Formula: C28H28O4S2 MolecularWeight: 492.64952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCC2C(CC(S2)SCC3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H](CC(S2)SCC3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C28H28O4S2/c1-19-8-12-22(13-9-19)27(29)31-17-25-24(32-28(30)23-14-10-20(2)11-15-23)16-26(34-25)33-18-21-6-4-3-5-7-21/h3-15,24-26H,16-18H2,1-2H3/t24-,25+,26?/m0/s1