[(2R,3S,4S,5R,6R)-3,5-diacetyloxy-4-azido-6-isothiocyanato-oxan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3S,4S,5R,6R)-3,5-diacetyloxy-4-azido-6-isothiocyanato-oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3S,4S,5R,6R)-3,5-diacetoxy-4-azido-6-isothiocyanato-tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3S,4S,5R,6R)-3,5-diacetyloxy-4-azido-6-isothiocyanato-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4S,5R,6R)-3,5-diacetyloxy-4-azido-6-isothiocyanatooxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3S,4S,5R,6R)-3,5-diacetoxy-4-azido-6-isothiocyanato-tetrahydropyran-2-yl]methyl ester Formula: C13H16N4O7S MolecularWeight: 372.35374

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)N=C=S)OC(=O)C)N=[N+]=[N-])OC(=O)C

Isomeric SMILES

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)N=C=S)OC(=O)C)N=[N+]=[N-])OC(=O)C

InChI

InChI=1S/C13H16N4O7S/c1-6(18)21-4-9-11(22-7(2)19)10(16-17-14)12(23-8(3)20)13(24-9)15-5-25/h9-13H,4H2,1-3H3/t9-,10+,11-,12-,13-/m1/s1