2-[(6-bromanyl-1,3-benzothiazol-2-yl)sulfanyl]propanoic acid

Systemtic Name: 2-[(6-bromanyl-1,3-benzothiazol-2-yl)sulfanyl]propanoic acid Openeye Name: 2-[(6-bromo-1,3-benzothiazol-2-yl)sulfanyl]propanoic acid CAS Name: 2-[(6-bromo-1,3-benzothiazol-2-yl)thio]propanoic acid IUPAC Name: 2-[(6-bromo-1,3-benzothiazol-2-yl)sulfanyl]propanoic acid Traditional Name: 2-[(6-bromo-1,3-benzothiazol-2-yl)thio]propionic acid Formula: C10H8BrNO2S2 MolecularWeight: 318.21002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H8BrNO2S2/c1-5(9(13)14)15-10-12-7-3-2-6(11)4-8(7)16-10/h2-5H,1H3,(H,13,14)