S-[[(3R,4R)-5-acetamido-3,4-bis(methylsulfonyloxy)-6-phenylmethoxy-oxan-2-yl]methyl] ethanethioate

Systemtic Name: S-[[(3R,4R)-5-acetamido-3,4-bis(methylsulfonyloxy)-6-phenylmethoxy-oxan-2-yl]methyl] ethanethioate Openeye Name: S-[[(3R,4R)-5-acetamido-6-benzyloxy-3,4-bis(methylsulfonyloxy)tetrahydropyran-2-yl]methyl] ethanethioate CAS Name: ethanethioic acid S-[[(3R,4R)-5-acetamido-3,4-bis(methylsulfonyloxy)-6-phenylmethoxy-2-oxanyl]methyl] ester IUPAC Name: S-[[(3R,4R)-5-acetamido-3,4-bis(methylsulfonyloxy)-6-phenylmethoxyoxan-2-yl]methyl] ethanethioate Traditional Name: ethanethioic acid S-[[(3R,4R)-5-acetamido-6-benzoxy-3,4-bis(methylsulfonyloxy)tetrahydropyran-2-yl]methyl] ester Formula: C19H27NO10S3 MolecularWeight: 525.61338

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(OC1OCC2=CC=CC=C2)CSC(=O)C)OS(=O)(=O)C)OS(=O)(=O)C

Isomeric SMILES

CC(=O)NC1[C@H]([C@@H](C(OC1OCC2=CC=CC=C2)CSC(=O)C)OS(=O)(=O)C)OS(=O)(=O)C

InChI

InChI=1S/C19H27NO10S3/c1-12(21)20-16-18(30-33(4,25)26)17(29-32(3,23)24)15(11-31-13(2)22)28-19(16)27-10-14-8-6-5-7-9-14/h5-9,15-19H,10-11H2,1-4H3,(H,20,21)/t15?,16?,17-,18-,19?/m1/s1