dimethyl (4S,5S)-5-[2-(diphenylmethyl)oxy-2-oxidanylidene-ethyl]-4-iodanyl-thiolane-2,2-dicarboxylate

Systemtic Name: dimethyl (4S,5S)-5-[2-(diphenylmethyl)oxy-2-oxidanylidene-ethyl]-4-iodanyl-thiolane-2,2-dicarboxylate Openeye Name: dimethyl (4S,5S)-5-(2-benzhydryloxy-2-oxo-ethyl)-4-iodo-tetrahydrothiophene-2,2-dicarboxylate CAS Name: (4S,5S)-5-[2-(diphenylmethyl)oxy-2-oxoethyl]-4-iodothiolane-2,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (4S,5S)-5-(2-benzhydryloxy-2-oxoethyl)-4-iodothiolane-2,2-dicarboxylate Traditional Name: (4S,5S)-5-(2-benzhydryloxy-2-keto-ethyl)-4-iodo-tetrahydrothiophene-2,2-dicarboxylic acid dimethyl ester Formula: C23H23IO6S MolecularWeight: 554.39459

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC(C(S1)CC(=O)OC(C2=CC=CC=C2)C3=CC=CC=C3)I)C(=O)OC

Isomeric SMILES

COC(=O)C1(C[C@@H]([C@@H](S1)CC(=O)OC(C2=CC=CC=C2)C3=CC=CC=C3)I)C(=O)OC

InChI

InChI=1S/C23H23IO6S/c1-28-21(26)23(22(27)29-2)14-17(24)18(31-23)13-19(25)30-20(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17-18,20H,13-14H2,1-2H3/t17-,18-/m0/s1