methyl (4S,5S)-5-(2,2-diphenylethanoyloxymethyl)-4-iodanyl-2-phenyl-thiolane-2-carboxylate

Systemtic Name: methyl (4S,5S)-5-(2,2-diphenylethanoyloxymethyl)-4-iodanyl-2-phenyl-thiolane-2-carboxylate Openeye Name: methyl (4S,5S)-5-[(2,2-diphenylacetyl)oxymethyl]-4-iodo-2-phenyl-tetrahydrothiophene-2-carboxylate CAS Name: (4S,5S)-4-iodo-5-[(1-oxo-2,2-diphenylethoxy)methyl]-2-phenyl-2-thiolanecarboxylic acid methyl ester IUPAC Name: methyl (4S,5S)-5-[(2,2-diphenylacetyl)oxymethyl]-4-iodo-2-phenylthiolane-2-carboxylate Traditional Name: (4S,5S)-5-[(2,2-diphenylacetyl)oxymethyl]-4-iodo-2-phenyl-tetrahydrothiophene-2-carboxylic acid methyl ester Formula: C27H25IO4S MolecularWeight: 572.45447

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC(C(S1)COC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)I)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1(C[C@@H]([C@@H](S1)COC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)I)C4=CC=CC=C4

InChI

InChI=1S/C27H25IO4S/c1-31-26(30)27(21-15-9-4-10-16-21)17-22(28)23(33-27)18-32-25(29)24(19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-16,22-24H,17-18H2,1H3/t22-,23-,27?/m0/s1