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

Systemtic Name: [(2R,3R,4S,5R,6S)-3,4-diacetyloxy-5-phenylmethoxy-6-thiocyanato-oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3R,4S,5R,6S)-3,4-diacetoxy-5-benzyloxy-6-thiocyanato-tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3R,4S,5R,6S)-3,4-diacetyloxy-5-phenylmethoxy-6-thiocyanato-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5R,6S)-3,4-diacetyloxy-5-phenylmethoxy-6-thiocyanatooxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3R,4S,5R,6S)-3,4-diacetoxy-5-benzoxy-6-thiocyanato-tetrahydropyran-2-yl]methyl ester Formula: C20H23NO8S MolecularWeight: 437.46352

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)SC#N)OCC2=CC=CC=C2)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)OCC2=CC=CC=C2)OC(=O)C)OC(=O)C

InChI

InChI=1S/C20H23NO8S/c1-12(22)25-10-16-17(27-13(2)23)18(28-14(3)24)19(20(29-16)30-11-21)26-9-15-7-5-4-6-8-15/h4-8,16-20H,9-10H2,1-3H3/t16-,17-,18+,19-,20+/m1/s1