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

Systemtic Name: [(2R,3S,5S)-5-acetyloxy-3-(4-methylphenyl)carbonyloxy-thiolan-2-yl]methyl 4-methylbenzoate Openeye Name: [(2R,3S,5S)-5-acetoxy-3-(4-methylbenzoyl)oxy-tetrahydrothiophen-2-yl]methyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid [(2R,3S,5S)-5-acetyloxy-3-[(4-methylphenyl)-oxomethoxy]-2-thiolanyl]methyl ester IUPAC Name: [(2R,3S,5S)-5-acetyloxy-3-(4-methylbenzoyl)oxythiolan-2-yl]methyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [(2R,3S,5S)-5-acetoxy-3-p-toluoyloxy-tetrahydrothiophen-2-yl]methyl ester Formula: C23H24O6S MolecularWeight: 428.49806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24O6S/c1-14-4-8-17(9-5-14)22(25)27-13-20-19(12-21(30-20)28-16(3)24)29-23(26)18-10-6-15(2)7-11-18/h4-11,19-21H,12-13H2,1-3H3/t19-,20+,21-/m0/s1