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

Systemtic Name: [(2S,3S,5R)-5-cyano-5-diethoxyphosphoryl-3-iodanyl-thiolan-2-yl]methyl methanoate Openeye Name: [(2S,3S,5R)-5-cyano-5-diethoxyphosphoryl-3-iodo-tetrahydrothiophen-2-yl]methyl formate CAS Name: formic acid [(2S,3S,5R)-5-cyano-5-diethoxyphosphoryl-3-iodo-2-thiolanyl]methyl ester IUPAC Name: [(2S,3S,5R)-5-cyano-5-diethoxyphosphoryl-3-iodothiolan-2-yl]methyl formate Traditional Name: formic acid [(2S,3S,5R)-5-cyano-5-diethoxyphosphoryl-3-iodo-tetrahydrothiophen-2-yl]methyl ester Formula: C11H17INO5PS MolecularWeight: 433.199611

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H17INO5PS/c1-3-17-19(15,18-4-2)11(7-13)5-9(12)10(20-11)6-16-8-14/h8-10H,3-6H2,1-2H3/t9-,10-,11+/m0/s1