(5-acetyloxy-4-azido-3-oxidanyl-6-phenylsulfanyl-oxan-2-yl)methyl benzoate

Systemtic Name: (5-acetyloxy-4-azido-3-oxidanyl-6-phenylsulfanyl-oxan-2-yl)methyl benzoate Openeye Name: (5-acetoxy-4-azido-3-hydroxy-6-phenylsulfanyl-tetrahydropyran-2-yl)methyl benzoate CAS Name: benzoic acid [5-acetyloxy-4-azido-3-hydroxy-6-(phenylthio)-2-oxanyl]methyl ester IUPAC Name: (5-acetyloxy-4-azido-3-hydroxy-6-phenylsulfanyloxan-2-yl)methyl benzoate Traditional Name: benzoic acid [5-acetoxy-4-azido-3-hydroxy-6-(phenylthio)tetrahydropyran-2-yl]methyl ester Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C(C(OC1SC2=CC=CC=C2)COC(=O)C3=CC=CC=C3)O)N=[N+]=[N-]

Isomeric SMILES

CC(=O)OC1C(C(C(OC1SC2=CC=CC=C2)COC(=O)C3=CC=CC=C3)O)N=[N+]=[N-]

InChI

InChI=1S/C21H21N3O6S/c1-13(25)29-19-17(23-24-22)18(26)16(12-28-20(27)14-8-4-2-5-9-14)30-21(19)31-15-10-6-3-7-11-15/h2-11,16-19,21,26H,12H2,1H3