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

Systemtic Name: [(2R,3S,4R,5R,6S)-3,4-diacetyloxy-5-azido-6-thiocyanato-oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3S,4R,5R,6S)-3,4-diacetoxy-5-azido-6-thiocyanato-tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3S,4R,5R,6S)-3,4-diacetyloxy-5-azido-6-thiocyanato-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4R,5R,6S)-3,4-diacetyloxy-5-azido-6-thiocyanatooxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3S,4R,5R,6S)-3,4-diacetoxy-5-azido-6-thiocyanato-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)SC#N)N=[N+]=[N-])OC(=O)C)OC(=O)C

Isomeric SMILES

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

InChI

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