ethyl (3R,5R)-3,5-diacetyloxy-4-nitro-thiane-4-carboxylate

Systemtic Name: ethyl (3R,5R)-3,5-diacetyloxy-4-nitro-thiane-4-carboxylate Openeye Name: ethyl (3R,5R)-3,5-diacetoxy-4-nitro-tetrahydrothiopyran-4-carboxylate CAS Name: (3R,5R)-3,5-diacetyloxy-4-nitro-4-thianecarboxylic acid ethyl ester IUPAC Name: ethyl (3R,5R)-3,5-diacetyloxy-4-nitrothiane-4-carboxylate Traditional Name: (3R,5R)-3,5-diacetoxy-4-nitro-tetrahydrothiopyran-4-carboxylic acid ethyl ester Formula: C12H17NO8S MolecularWeight: 335.33028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(CSCC1OC(=O)C)OC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1([C@H](CSC[C@@H]1OC(=O)C)OC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C12H17NO8S/c1-4-19-11(16)12(13(17)18)9(20-7(2)14)5-22-6-10(12)21-8(3)15/h9-10H,4-6H2,1-3H3/t9-,10-/m0/s1