3-[2,3-bis(iodanyl)-4-oxidanyl-phenyl]-2-(ethanethioylamino)propanoic acid

Systemtic Name: 3-[2,3-bis(iodanyl)-4-oxidanyl-phenyl]-2-(ethanethioylamino)propanoic acid Openeye Name: 2-(ethanethioylamino)-3-(4-hydroxy-2,3-diiodo-phenyl)propanoic acid CAS Name: 3-(4-hydroxy-2,3-diiodophenyl)-2-(1-sulfanylideneethylamino)propanoic acid IUPAC Name: 2-(ethanethioylamino)-3-(4-hydroxy-2,3-diiodophenyl)propanoic acid Traditional Name: 3-(4-hydroxy-2,3-diiodo-phenyl)-2-(thioacetylamino)propionic acid Formula: C11H11I2NO3S MolecularWeight: 491.08388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=S)NC(CC1=C(C(=C(C=C1)O)I)I)C(=O)O

Isomeric SMILES

CC(=S)NC(CC1=C(C(=C(C=C1)O)I)I)C(=O)O

InChI

InChI=1S/C11H11I2NO3S/c1-5(18)14-7(11(16)17)4-6-2-3-8(15)10(13)9(6)12/h2-3,7,15H,4H2,1H3,(H,14,18)(H,16,17)