2-acetamido-3-[(3-iodanylphenyl)methylsulfanyl]propanoic acid

Systemtic Name: 2-acetamido-3-[(3-iodanylphenyl)methylsulfanyl]propanoic acid Openeye Name: 2-acetamido-3-[(3-iodophenyl)methylsulfanyl]propanoic acid CAS Name: 2-acetamido-3-[(3-iodophenyl)methylthio]propanoic acid IUPAC Name: 2-acetamido-3-[(3-iodophenyl)methylsulfanyl]propanoic acid Traditional Name: 2-acetamido-3-[(3-iodobenzyl)thio]propionic acid Formula: C12H14INO3S MolecularWeight: 379.21393

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSCC1=CC(=CC=C1)I)C(=O)O

Isomeric SMILES

CC(=O)NC(CSCC1=CC(=CC=C1)I)C(=O)O

InChI

InChI=1S/C12H14INO3S/c1-8(15)14-11(12(16)17)7-18-6-9-3-2-4-10(13)5-9/h2-5,11H,6-7H2,1H3,(H,14,15)(H,16,17)