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

Systemtic Name: [(2S,3S,4S,5R,6R)-3,5-diacetyloxy-2-aminocarbonyl-6-isothiocyanato-oxan-4-yl] ethanoate Openeye Name: [(2S,3S,4S,5R,6R)-3,5-diacetoxy-2-carbamoyl-6-isothiocyanato-tetrahydropyran-4-yl] acetate CAS Name: acetic acid [(2S,3S,4S,5R,6R)-3,5-diacetyloxy-2-carbamoyl-6-isothiocyanato-4-oxanyl] ester IUPAC Name: [(2S,3S,4S,5R,6R)-3,5-diacetyloxy-2-carbamoyl-6-isothiocyanatooxan-4-yl] acetate Traditional Name: acetic acid [(2S,3S,4S,5R,6R)-3,5-diacetoxy-2-carbamoyl-6-isothiocyanato-tetrahydropyran-4-yl] ester Formula: C13H16N2O8S MolecularWeight: 360.33974

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C(OC(C1OC(=O)C)N=C=S)C(=O)N)OC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O8S/c1-5(16)20-8-9(21-6(2)17)11(22-7(3)18)13(15-4-24)23-10(8)12(14)19/h8-11,13H,1-3H3,(H2,14,19)/t8-,9-,10-,11+,13+/m0/s1