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

Systemtic Name: 3-(1,3-benzothiazol-6-yl)propanoic acid Openeye Name: 3-(1,3-benzothiazol-6-yl)propanoic acid CAS Name: 3-(1,3-benzothiazol-6-yl)propanoic acid IUPAC Name: 3-(1,3-benzothiazol-6-yl)propanoic acid Traditional Name: 3-(1,3-benzothiazol-6-yl)propionic acid Formula: C10H9NO2S MolecularWeight: 207.24896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H9NO2S/c12-10(13)4-2-7-1-3-8-9(5-7)14-6-11-8/h1,3,5-6H,2,4H2,(H,12,13)