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

Systemtic Name: [(2S,3S,4R,5R,6S)-4,5-diacetyloxy-6-isothiocyanato-2-methyl-oxan-3-yl] ethanoate Openeye Name: [(2S,3S,4R,5R,6S)-4,5-diacetoxy-6-isothiocyanato-2-methyl-tetrahydropyran-3-yl] acetate CAS Name: acetic acid [(2S,3S,4R,5R,6S)-4,5-diacetyloxy-6-isothiocyanato-2-methyl-3-oxanyl] ester IUPAC Name: [(2S,3S,4R,5R,6S)-4,5-diacetyloxy-6-isothiocyanato-2-methyloxan-3-yl] acetate Traditional Name: acetic acid [(2S,3S,4R,5R,6S)-4,5-diacetoxy-6-isothiocyanato-2-methyl-tetrahydropyran-3-yl] ester Formula: C13H17NO7S MolecularWeight: 331.34158

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)N=C=S)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO7S/c1-6-10(19-7(2)15)11(20-8(3)16)12(21-9(4)17)13(18-6)14-5-22/h6,10-13H,1-4H3/t6-,10-,11+,12+,13-/m0/s1