[(2S,3R,4R,5S,6R)-2-methoxy-6-methyl-3-(phenylcarbonyloxy)-5-thiocyanato-oxan-4-yl] benzoate

Systemtic Name: [(2S,3R,4R,5S,6R)-2-methoxy-6-methyl-3-(phenylcarbonyloxy)-5-thiocyanato-oxan-4-yl] benzoate Openeye Name: [(2S,3R,4R,5S,6R)-3-benzoyloxy-2-methoxy-6-methyl-5-thiocyanato-tetrahydropyran-4-yl] benzoate CAS Name: benzoic acid [(2S,3R,4R,5S,6R)-3-benzoyloxy-2-methoxy-6-methyl-5-thiocyanato-4-oxanyl] ester IUPAC Name: [(2S,3R,4R,5S,6R)-3-benzoyloxy-2-methoxy-6-methyl-5-thiocyanatooxan-4-yl] benzoate Traditional Name: benzoic acid [(2S,3R,4R,5S,6R)-3-benzoyloxy-2-methoxy-6-methyl-5-thiocyanato-tetrahydropyran-4-yl] ester Formula: C22H21NO6S MolecularWeight: 427.47024

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)SC#N

Isomeric SMILES

C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)SC#N

InChI

InChI=1S/C22H21NO6S/c1-14-19(30-13-23)17(28-20(24)15-9-5-3-6-10-15)18(22(26-2)27-14)29-21(25)16-11-7-4-8-12-16/h3-12,14,17-19,22H,1-2H3/t14-,17-,18-,19+,22+/m1/s1