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

Systemtic Name: 3-[(6-oxidanyl-1,3-benzothiazol-2-yl)sulfanyl]propanoic acid Openeye Name: 3-[(6-hydroxy-1,3-benzothiazol-2-yl)sulfanyl]propanoic acid CAS Name: 3-[(6-hydroxy-1,3-benzothiazol-2-yl)thio]propanoic acid IUPAC Name: 3-[(6-hydroxy-1,3-benzothiazol-2-yl)sulfanyl]propanoic acid Traditional Name: 3-[(6-hydroxy-1,3-benzothiazol-2-yl)thio]propionic acid Formula: C10H9NO3S2 MolecularWeight: 255.31336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1O)SC(=N2)SCCC(=O)O

Isomeric SMILES

C1=CC2=C(C=C1O)SC(=N2)SCCC(=O)O

InChI

InChI=1S/C10H9NO3S2/c12-6-1-2-7-8(5-6)16-10(11-7)15-4-3-9(13)14/h1-2,5,12H,3-4H2,(H,13,14)