[(2R,3S,4S)-5-acetyloxy-4-azido-3-(phenylcarbonyloxy)thiolan-2-yl]methyl benzoate

Systemtic Name: [(2R,3S,4S)-5-acetyloxy-4-azido-3-(phenylcarbonyloxy)thiolan-2-yl]methyl benzoate Openeye Name: [(2R,3S,4S)-5-acetoxy-4-azido-3-benzoyloxy-tetrahydrothiophen-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3S,4S)-5-acetyloxy-4-azido-3-benzoyloxy-2-thiolanyl]methyl ester IUPAC Name: [(2R,3S,4S)-5-acetyloxy-4-azido-3-benzoyloxythiolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3S,4S)-5-acetoxy-4-azido-3-benzoyloxy-tetrahydrothiophen-2-yl]methyl ester Formula: C21H19N3O6S MolecularWeight: 441.45706

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C(C(S1)COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)N=[N+]=[N-]

Isomeric SMILES

CC(=O)OC1[C@H]([C@@H]([C@H](S1)COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)N=[N+]=[N-]

InChI

InChI=1S/C21H19N3O6S/c1-13(25)29-21-17(23-24-22)18(30-20(27)15-10-6-3-7-11-15)16(31-21)12-28-19(26)14-8-4-2-5-9-14/h2-11,16-18,21H,12H2,1H3/t16-,17+,18-,21?/m1/s1