2-acetamido-3-[2-[2,4-bis(chloranyl)phenoxy]ethanoylsulfanyl]propanoic acid

Systemtic Name: 2-acetamido-3-[2-[2,4-bis(chloranyl)phenoxy]ethanoylsulfanyl]propanoic acid Openeye Name: 2-acetamido-3-[2-(2,4-dichlorophenoxy)acetyl]sulfanyl-propanoic acid CAS Name: 2-acetamido-3-[[2-(2,4-dichlorophenoxy)-1-oxoethyl]thio]propanoic acid IUPAC Name: 2-acetamido-3-[2-(2,4-dichlorophenoxy)acetyl]sulfanylpropanoic acid Traditional Name: 2-acetamido-3-[[2-(2,4-dichlorophenoxy)acetyl]thio]propionic acid Formula: C13H13Cl2NO5S MolecularWeight: 366.21702

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC(=O)COC1=C(C=C(C=C1)Cl)Cl)C(=O)O

Isomeric SMILES

CC(=O)NC(CSC(=O)COC1=C(C=C(C=C1)Cl)Cl)C(=O)O

InChI

InChI=1S/C13H13Cl2NO5S/c1-7(17)16-10(13(19)20)6-22-12(18)5-21-11-3-2-8(14)4-9(11)15/h2-4,10H,5-6H2,1H3,(H,16,17)(H,19,20)