2-[[3,5-bis(chloranyl)-2-iodanyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[3,5-bis(chloranyl)-2-iodanyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(3,5-dichloro-2-iodo-benzoyl)amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[(3,5-dichloro-2-iodophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(3,5-dichloro-2-iodobenzoyl)amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(3,5-dichloro-2-iodo-benzoyl)amino]-4-(methylthio)butyric acid Formula: C12H12Cl2INO3S MolecularWeight: 448.10405

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=CC(=CC(=C1I)Cl)Cl

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=CC(=CC(=C1I)Cl)Cl

InChI

InChI=1S/C12H12Cl2INO3S/c1-20-3-2-9(12(18)19)16-11(17)7-4-6(13)5-8(14)10(7)15/h4-5,9H,2-3H2,1H3,(H,16,17)(H,18,19)