3-(2-chloranyl-1,3-benzothiazol-6-yl)propanoic acid

Systemtic Name: 3-(2-chloranyl-1,3-benzothiazol-6-yl)propanoic acid Openeye Name: 3-(2-chloro-1,3-benzothiazol-6-yl)propanoic acid CAS Name: 3-(2-chloro-1,3-benzothiazol-6-yl)propanoic acid IUPAC Name: 3-(2-chloro-1,3-benzothiazol-6-yl)propanoic acid Traditional Name: 3-(2-chloro-1,3-benzothiazol-6-yl)propionic acid Formula: C10H8ClNO2S MolecularWeight: 241.69402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1CCC(=O)O)SC(=N2)Cl

Isomeric SMILES

C1=CC2=C(C=C1CCC(=O)O)SC(=N2)Cl

InChI

InChI=1S/C10H8ClNO2S/c11-10-12-7-3-1-6(2-4-9(13)14)5-8(7)15-10/h1,3,5H,2,4H2,(H,13,14)