ethyl (2S,4S,5S)-2-cyano-4-iodanyl-5-(prop-2-ynoyloxymethyl)thiolane-2-carboxylate

Systemtic Name: ethyl (2S,4S,5S)-2-cyano-4-iodanyl-5-(prop-2-ynoyloxymethyl)thiolane-2-carboxylate Openeye Name: ethyl (2S,4S,5S)-2-cyano-4-iodo-5-(prop-2-ynoyloxymethyl)tetrahydrothiophene-2-carboxylate CAS Name: (2S,4S,5S)-2-cyano-4-iodo-5-(1-oxoprop-2-ynoxymethyl)-2-thiolanecarboxylic acid ethyl ester IUPAC Name: ethyl (2S,4S,5S)-2-cyano-4-iodo-5-(prop-2-ynoyloxymethyl)thiolane-2-carboxylate Traditional Name: (2S,4S,5S)-2-cyano-4-iodo-5-(propioloyloxymethyl)tetrahydrothiophene-2-carboxylic acid ethyl ester Formula: C12H12INO4S MolecularWeight: 393.19745

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC(C(S1)COC(=O)C#C)I)C#N

Isomeric SMILES

CCOC(=O)[C@]1(C[C@@H]([C@@H](S1)COC(=O)C#C)I)C#N

InChI

InChI=1S/C12H12INO4S/c1-3-10(15)18-6-9-8(13)5-12(7-14,19-9)11(16)17-4-2/h1,8-9H,4-6H2,2H3/t8-,9-,12-/m0/s1