methyl (2S,3S,4R,5R)-3,4,5-triacetyloxy-2-(2-aminophenyl)sulfanyl-oxane-2-carboxylate

Systemtic Name: methyl (2S,3S,4R,5R)-3,4,5-triacetyloxy-2-(2-aminophenyl)sulfanyl-oxane-2-carboxylate Openeye Name: methyl (2S,3S,4R,5R)-3,4,5-triacetoxy-2-(2-aminophenyl)sulfanyl-tetrahydropyran-2-carboxylate CAS Name: (2S,3S,4R,5R)-3,4,5-triacetyloxy-2-[(2-aminophenyl)thio]-2-oxanecarboxylic acid methyl ester IUPAC Name: methyl (2S,3S,4R,5R)-3,4,5-triacetyloxy-2-(2-aminophenyl)sulfanyloxane-2-carboxylate Traditional Name: (2S,3S,4R,5R)-3,4,5-triacetoxy-2-[(2-aminophenyl)thio]tetrahydropyran-2-carboxylic acid methyl ester Formula: C19H23NO9S MolecularWeight: 441.45222

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)(C(=O)OC)SC2=CC=CC=C2N

Isomeric SMILES

CC(=O)O[C@@H]1CO[C@]([C@H]([C@@H]1OC(=O)C)OC(=O)C)(C(=O)OC)SC2=CC=CC=C2N

InChI

InChI=1S/C19H23NO9S/c1-10(21)27-14-9-26-19(18(24)25-4,30-15-8-6-5-7-13(15)20)17(29-12(3)23)16(14)28-11(2)22/h5-8,14,16-17H,9,20H2,1-4H3/t14-,16-,17+,19+/m1/s1