2-[(5-bromanyl-1,3-benzothiazol-2-yl)sulfanyl]-2-methyl-propanoic acid

Systemtic Name: 2-[(5-bromanyl-1,3-benzothiazol-2-yl)sulfanyl]-2-methyl-propanoic acid Openeye Name: 2-[(5-bromo-1,3-benzothiazol-2-yl)sulfanyl]-2-methyl-propanoic acid CAS Name: 2-[(5-bromo-1,3-benzothiazol-2-yl)thio]-2-methylpropanoic acid IUPAC Name: 2-[(5-bromo-1,3-benzothiazol-2-yl)sulfanyl]-2-methylpropanoic acid Traditional Name: 2-[(5-bromo-1,3-benzothiazol-2-yl)thio]-2-methyl-propionic acid Formula: C11H10BrNO2S2 MolecularWeight: 332.2366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)SC1=NC2=C(S1)C=CC(=C2)Br

Isomeric SMILES

CC(C)(C(=O)O)SC1=NC2=C(S1)C=CC(=C2)Br

InChI

InChI=1S/C11H10BrNO2S2/c1-11(2,9(14)15)17-10-13-7-5-6(12)3-4-8(7)16-10/h3-5H,1-2H3,(H,14,15)