[(2S,3S,5S)-5-cyano-5-diethoxyphosphoryl-3-iodanyl-thiolan-2-yl]methyl prop-2-ynoate

Systemtic Name: [(2S,3S,5S)-5-cyano-5-diethoxyphosphoryl-3-iodanyl-thiolan-2-yl]methyl prop-2-ynoate Openeye Name: [(2S,3S,5S)-5-cyano-5-diethoxyphosphoryl-3-iodo-tetrahydrothiophen-2-yl]methyl prop-2-ynoate CAS Name: 2-propynoic acid [(2S,3S,5S)-5-cyano-5-diethoxyphosphoryl-3-iodo-2-thiolanyl]methyl ester IUPAC Name: [(2S,3S,5S)-5-cyano-5-diethoxyphosphoryl-3-iodothiolan-2-yl]methyl prop-2-ynoate Traditional Name: propiolic acid [(2S,3S,5S)-5-cyano-5-diethoxyphosphoryl-3-iodo-tetrahydrothiophen-2-yl]methyl ester Formula: C13H17INO5PS MolecularWeight: 457.221011

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17INO5PS/c1-4-12(16)18-8-11-10(14)7-13(9-15,22-11)21(17,19-5-2)20-6-3/h1,10-11H,5-8H2,2-3H3/t10-,11-,13-/m0/s1