2-[(5-bromanyl-2-iodanyl-phenyl)carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[(5-bromanyl-2-iodanyl-phenyl)carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(5-bromo-2-iodo-benzoyl)amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[(5-bromo-2-iodophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(5-bromo-2-iodobenzoyl)amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(5-bromo-2-iodo-benzoyl)amino]-4-(methylthio)butyric acid Formula: C12H13BrINO3S MolecularWeight: 458.10999

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=C(C=CC(=C1)Br)I

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=C(C=CC(=C1)Br)I

InChI

InChI=1S/C12H13BrINO3S/c1-19-5-4-10(12(17)18)15-11(16)8-6-7(13)2-3-9(8)14/h2-3,6,10H,4-5H2,1H3,(H,15,16)(H,17,18)