2-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-butanoic acid Openeye Name: 2-(5-bromo-1,3-dioxo-isoindolin-2-yl)-4-methylsulfanyl-butanoic acid CAS Name: 2-(5-bromo-1,3-dioxo-2-isoindolyl)-4-(methylthio)butanoic acid IUPAC Name: 2-(5-bromo-1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoic acid Traditional Name: 2-(5-bromo-1,3-diketo-isoindolin-2-yl)-4-(methylthio)butyric acid Formula: C13H12BrNO4S MolecularWeight: 358.20768

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)N1C(=O)C2=C(C1=O)C=C(C=C2)Br

Isomeric SMILES

CSCCC(C(=O)O)N1C(=O)C2=C(C1=O)C=C(C=C2)Br

InChI

InChI=1S/C13H12BrNO4S/c1-20-5-4-10(13(18)19)15-11(16)8-3-2-7(14)6-9(8)12(15)17/h2-3,6,10H,4-5H2,1H3,(H,18,19)