2-(7-bromanyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-4-sulfanyl-butanoic acid

Systemtic Name: 2-(7-bromanyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-4-sulfanyl-butanoic acid Openeye Name: 2-(7-bromo-1,3-benzothiazol-2-yl)-4-oxo-4-sulfanyl-butanoic acid CAS Name: 2-(7-bromo-1,3-benzothiazol-2-yl)-4-mercapto-4-oxobutanoic acid IUPAC Name: 2-(7-bromo-1,3-benzothiazol-2-yl)-4-oxo-4-sulfanylbutanoic acid Traditional Name: 2-(7-bromo-1,3-benzothiazol-2-yl)-4-keto-4-mercapto-butyric acid Formula: C11H8BrNO3S2 MolecularWeight: 346.22012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)Br)SC(=N2)C(CC(=O)S)C(=O)O

Isomeric SMILES

C1=CC2=C(C(=C1)Br)SC(=N2)C(CC(=O)S)C(=O)O

InChI

InChI=1S/C11H8BrNO3S2/c12-6-2-1-3-7-9(6)18-10(13-7)5(11(15)16)4-8(14)17/h1-3,5H,4H2,(H,14,17)(H,15,16)