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

Systemtic Name: [(2R,3S,4S,5R)-3,5,6-triacetyloxy-4-isothiocyanato-oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3S,4S,5R)-3,5,6-triacetoxy-4-isothiocyanato-tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3S,4S,5R)-3,5,6-triacetyloxy-4-isothiocyanato-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4S,5R)-3,5,6-triacetyloxy-4-isothiocyanatooxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3S,4S,5R)-3,5,6-triacetoxy-4-isothiocyanato-tetrahydropyran-2-yl]methyl ester Formula: C15H19NO9S MolecularWeight: 389.37766

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)OC(=O)C)OC(=O)C)N=C=S)OC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO9S/c1-7(17)21-5-11-13(22-8(2)18)12(16-6-26)14(23-9(3)19)15(25-11)24-10(4)20/h11-15H,5H2,1-4H3/t11-,12+,13-,14-,15?/m1/s1