methyl (2S,4S,5R,6R)-5-acetamido-4-acetyloxy-2-isothiocyanato-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate

Systemtic Name: methyl (2S,4S,5R,6R)-5-acetamido-4-acetyloxy-2-isothiocyanato-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate Openeye Name: methyl (2S,4S,5R,6R)-5-acetamido-4-acetoxy-2-isothiocyanato-6-[(1S,2R)-1,2,3-triacetoxypropyl]tetrahydropyran-2-carboxylate CAS Name: (2S,4S,5R,6R)-5-acetamido-4-acetyloxy-2-isothiocyanato-6-[(1S,2R)-1,2,3-triacetyloxypropyl]-2-oxanecarboxylic acid methyl ester IUPAC Name: methyl (2S,4S,5R,6R)-5-acetamido-4-acetyloxy-2-isothiocyanato-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate Traditional Name: (2S,4S,5R,6R)-5-acetamido-4-acetoxy-2-isothiocyanato-6-[(1S,2R)-1,2,3-triacetoxypropyl]tetrahydropyran-2-carboxylic acid methyl ester Formula: C21H28N2O12S MolecularWeight: 532.51822

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(CC(OC1C(C(COC(=O)C)OC(=O)C)OC(=O)C)(C(=O)OC)N=C=S)OC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O12S/c1-10(24)23-17-15(32-12(3)26)7-21(22-9-36,20(29)30-6)35-19(17)18(34-14(5)28)16(33-13(4)27)8-31-11(2)25/h15-19H,7-8H2,1-6H3,(H,23,24)/t15-,16+,17+,18+,19+,21-/m0/s1