3-(5-bromanyl-1,3-benzothiazol-2-yl)propanoic acid

Systemtic Name: 3-(5-bromanyl-1,3-benzothiazol-2-yl)propanoic acid Openeye Name: 3-(5-bromo-1,3-benzothiazol-2-yl)propanoic acid CAS Name: 3-(5-bromo-1,3-benzothiazol-2-yl)propanoic acid IUPAC Name: 3-(5-bromo-1,3-benzothiazol-2-yl)propanoic acid Traditional Name: 3-(5-bromo-1,3-benzothiazol-2-yl)propionic acid Formula: C10H8BrNO2S MolecularWeight: 286.14502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)N=C(S2)CCC(=O)O

Isomeric SMILES

C1=CC2=C(C=C1Br)N=C(S2)CCC(=O)O

InChI

InChI=1S/C10H8BrNO2S/c11-6-1-2-8-7(5-6)12-9(15-8)3-4-10(13)14/h1-2,5H,3-4H2,(H,13,14)