dimethyl (4S,5S)-5-(2-ethynoxy-2-oxidanylidene-ethyl)-4-iodanyl-thiolane-2,2-dicarboxylate

Systemtic Name: dimethyl (4S,5S)-5-(2-ethynoxy-2-oxidanylidene-ethyl)-4-iodanyl-thiolane-2,2-dicarboxylate Openeye Name: dimethyl (4S,5S)-5-(2-ethynoxy-2-oxo-ethyl)-4-iodo-tetrahydrothiophene-2,2-dicarboxylate CAS Name: (4S,5S)-5-(2-ethynoxy-2-oxoethyl)-4-iodothiolane-2,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (4S,5S)-5-(2-ethynoxy-2-oxoethyl)-4-iodothiolane-2,2-dicarboxylate Traditional Name: (4S,5S)-5-(2-ethynoxy-2-keto-ethyl)-4-iodo-tetrahydrothiophene-2,2-dicarboxylic acid dimethyl ester Formula: C12H13IO6S MolecularWeight: 412.19749

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC(C(S1)CC(=O)OC#C)I)C(=O)OC

Isomeric SMILES

COC(=O)C1(C[C@@H]([C@@H](S1)CC(=O)OC#C)I)C(=O)OC

InChI

InChI=1S/C12H13IO6S/c1-4-19-9(14)5-8-7(13)6-12(20-8,10(15)17-2)11(16)18-3/h1,7-8H,5-6H2,2-3H3/t7-,8-/m0/s1