2-[(2S,3S,5R)-5-cyano-5-ethoxycarbonyl-3-iodanyl-thiolan-2-yl]ethanoic acid

Systemtic Name: 2-[(2S,3S,5R)-5-cyano-5-ethoxycarbonyl-3-iodanyl-thiolan-2-yl]ethanoic acid Openeye Name: 2-[(2S,3S,5R)-5-cyano-5-ethoxycarbonyl-3-iodo-tetrahydrothiophen-2-yl]acetic acid CAS Name: 2-[(2S,3S,5R)-5-cyano-5-ethoxycarbonyl-3-iodo-2-thiolanyl]acetic acid IUPAC Name: 2-[(2S,3S,5R)-5-cyano-5-ethoxycarbonyl-3-iodothiolan-2-yl]acetic acid Traditional Name: 2-[(2S,3S,5R)-5-carbethoxy-5-cyano-3-iodo-tetrahydrothiophen-2-yl]acetic acid Formula: C10H12INO4S MolecularWeight: 369.17605

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12INO4S/c1-2-16-9(15)10(5-12)4-6(11)7(17-10)3-8(13)14/h6-7H,2-4H2,1H3,(H,13,14)/t6-,7-,10+/m0/s1