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

Systemtic Name: 3-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]propanoic acid Openeye Name: 3-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]propanoic acid CAS Name: 3-[(5-chloro-1,3-benzothiazol-2-yl)thio]propanoic acid IUPAC Name: 3-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]propanoic acid Traditional Name: 3-[(5-chloro-1,3-benzothiazol-2-yl)thio]propionic acid Formula: C10H8ClNO2S2 MolecularWeight: 273.75902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)N=C(S2)SCCC(=O)O

Isomeric SMILES

C1=CC2=C(C=C1Cl)N=C(S2)SCCC(=O)O

InChI

InChI=1S/C10H8ClNO2S2/c11-6-1-2-8-7(5-6)12-10(16-8)15-4-3-9(13)14/h1-2,5H,3-4H2,(H,13,14)