methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-(2-azanyl-5-bromanyl-3-cyano-phenoxy)oxane-2-carboxylate

Systemtic Name: methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-(2-azanyl-5-bromanyl-3-cyano-phenoxy)oxane-2-carboxylate Openeye Name: methyl (2S,3S,4S,5R,6S)-3,4,5-triacetoxy-6-(2-amino-5-bromo-3-cyano-phenoxy)tetrahydropyran-2-carboxylate CAS Name: (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-(2-amino-5-bromo-3-cyanophenoxy)-2-oxanecarboxylic acid methyl ester IUPAC Name: methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-(2-amino-5-bromo-3-cyanophenoxy)oxane-2-carboxylate Traditional Name: (2S,3S,4S,5R,6S)-3,4,5-triacetoxy-6-(2-amino-5-bromo-3-cyano-phenoxy)tetrahydropyran-2-carboxylic acid methyl ester Formula: C20H21BrN2O10 MolecularWeight: 529.29214

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C(OC(C1OC(=O)C)OC2=C(C(=CC(=C2)Br)C#N)N)C(=O)OC)OC(=O)C

Isomeric SMILES

CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)OC2=C(C(=CC(=C2)Br)C#N)N)C(=O)OC)OC(=O)C

InChI

InChI=1S/C20H21BrN2O10/c1-8(24)29-15-16(30-9(2)25)18(31-10(3)26)20(33-17(15)19(27)28-4)32-13-6-12(21)5-11(7-22)14(13)23/h5-6,15-18,20H,23H2,1-4H3/t15-,16-,17-,18+,20+/m0/s1