2-acetamido-3-(4-methylsulfinylphenyl)propanoic acid

Systemtic Name: 2-acetamido-3-(4-methylsulfinylphenyl)propanoic acid Openeye Name: 2-acetamido-3-(4-methylsulfinylphenyl)propanoic acid CAS Name: 2-acetamido-3-(4-methylsulfinylphenyl)propanoic acid IUPAC Name: 2-acetamido-3-(4-methylsulfinylphenyl)propanoic acid Traditional Name: 2-acetamido-3-(4-methylsulfinylphenyl)propionic acid Formula: C12H15NO4S MolecularWeight: 269.3168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO4S/c1-8(14)13-11(12(15)16)7-9-3-5-10(6-4-9)18(2)17/h3-6,11H,7H2,1-2H3,(H,13,14)(H,15,16)