[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-(1,3-benzothiazol-2-yldisulfanyl)oxan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-(1,3-benzothiazol-2-yldisulfanyl)oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3R,4S,5R,6S)-3,4,5-triacetoxy-6-(1,3-benzothiazol-2-yldisulfanyl)tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-(1,3-benzothiazol-2-yldisulfanyl)-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-(1,3-benzothiazol-2-yldisulfanyl)oxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3R,4S,5R,6S)-3,4,5-triacetoxy-6-(1,3-benzothiazol-2-yldisulfanyl)tetrahydropyran-2-yl]methyl ester Formula: C21H23NO9S3 MolecularWeight: 529.60362

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)SSC2=NC3=CC=CC=C3S2)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)SSC2=NC3=CC=CC=C3S2)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C21H23NO9S3/c1-10(23)27-9-15-17(28-11(2)24)18(29-12(3)25)19(30-13(4)26)20(31-15)33-34-21-22-14-7-5-6-8-16(14)32-21/h5-8,15,17-20H,9H2,1-4H3/t15-,17-,18+,19-,20+/m1/s1