ethynyl 2-[(2S,3S,5S)-5-cyano-5-diethoxyphosphoryl-3-iodanyl-thiolan-2-yl]ethanoate

Systemtic Name: ethynyl 2-[(2S,3S,5S)-5-cyano-5-diethoxyphosphoryl-3-iodanyl-thiolan-2-yl]ethanoate Openeye Name: ethynyl 2-[(2S,3S,5S)-5-cyano-5-diethoxyphosphoryl-3-iodo-tetrahydrothiophen-2-yl]acetate CAS Name: 2-[(2S,3S,5S)-5-cyano-5-diethoxyphosphoryl-3-iodo-2-thiolanyl]acetic acid ethynyl ester IUPAC Name: ethynyl 2-[(2S,3S,5S)-5-cyano-5-diethoxyphosphoryl-3-iodothiolan-2-yl]acetate Traditional Name: 2-[(2S,3S,5S)-5-cyano-5-diethoxyphosphoryl-3-iodo-tetrahydrothiophen-2-yl]acetic acid ethynyl ester Formula: C13H17INO5PS MolecularWeight: 457.221011

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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