2-acetamido-3-[(2,4-dichlorophenyl)methylsulfanyl]propanoic acid

Systemtic Name: 2-acetamido-3-[(2,4-dichlorophenyl)methylsulfanyl]propanoic acid Openeye Name: 2-acetamido-3-[(2,4-dichlorophenyl)methylsulfanyl]propanoic acid CAS Name: 2-acetamido-3-[(2,4-dichlorophenyl)methylthio]propanoic acid IUPAC Name: 2-acetamido-3-[(2,4-dichlorophenyl)methylsulfanyl]propanoic acid Traditional Name: 2-acetamido-3-[(2,4-dichlorobenzyl)thio]propionic acid Formula: C12H13Cl2NO3S MolecularWeight: 322.20752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13Cl2NO3S/c1-7(16)15-11(12(17)18)6-19-5-8-2-3-9(13)4-10(8)14/h2-4,11H,5-6H2,1H3,(H,15,16)(H,17,18)