5-(ethanethioylamino)-2-methoxy-4-oxidanyl-6-[1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid

Systemtic Name: 5-(ethanethioylamino)-2-methoxy-4-oxidanyl-6-[1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid Openeye Name: 5-(ethanethioylamino)-4-hydroxy-2-methoxy-6-(1,2,3-trihydroxypropyl)tetrahydropyran-2-carboxylic acid CAS Name: 4-hydroxy-2-methoxy-5-(1-sulfanylideneethylamino)-6-(1,2,3-trihydroxypropyl)-2-oxanecarboxylic acid IUPAC Name: 5-(ethanethioylamino)-4-hydroxy-2-methoxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid Traditional Name: 4-hydroxy-2-methoxy-5-(thioacetylamino)-6-(1,2,3-trihydroxypropyl)tetrahydropyran-2-carboxylic acid Formula: C12H21NO8S MolecularWeight: 339.36204

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)OC)O

Isomeric SMILES

CC(=S)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)OC)O

InChI

InChI=1S/C12H21NO8S/c1-5(22)13-8-6(15)3-12(20-2,11(18)19)21-10(8)9(17)7(16)4-14/h6-10,14-17H,3-4H2,1-2H3,(H,13,22)(H,18,19)