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

Systemtic Name: methyl (2S,3S,4S,5S)-5-acetamido-4-acetyloxy-2-chloranyl-3-phenylsulfanyl-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate Openeye Name: methyl (2S,3S,4S,5S)-5-acetamido-4-acetoxy-2-chloro-3-phenylsulfanyl-6-[(1S,2R)-1,2,3-triacetoxypropyl]tetrahydropyran-2-carboxylate CAS Name: (2S,3S,4S,5S)-5-acetamido-4-acetyloxy-2-chloro-3-(phenylthio)-6-[(1S,2R)-1,2,3-triacetyloxypropyl]-2-oxanecarboxylic acid methyl ester IUPAC Name: methyl (2S,3S,4S,5S)-5-acetamido-4-acetyloxy-2-chloro-3-phenylsulfanyl-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate Traditional Name: (2S,3S,4S,5S)-5-acetamido-4-acetoxy-2-chloro-3-(phenylthio)-6-[(1S,2R)-1,2,3-triacetoxypropyl]tetrahydropyran-2-carboxylic acid methyl ester Formula: C26H32ClNO12S MolecularWeight: 618.04978

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(OC1C(C(COC(=O)C)OC(=O)C)OC(=O)C)(C(=O)OC)Cl)SC2=CC=CC=C2)OC(=O)C

Isomeric SMILES

CC(=O)N[C@@H]1[C@@H]([C@@H]([C@](OC1[C@@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)(C(=O)OC)Cl)SC2=CC=CC=C2)OC(=O)C

InChI

InChI=1S/C26H32ClNO12S/c1-13(29)28-20-22(21(38-16(4)32)19(37-15(3)31)12-36-14(2)30)40-26(27,25(34)35-6)24(23(20)39-17(5)33)41-18-10-8-7-9-11-18/h7-11,19-24H,12H2,1-6H3,(H,28,29)/t19-,20+,21-,22?,23+,24+,26+/m1/s1