2-[6-(methylamino)-1,3-benzothiazol-2-yl]-4-oxidanylidene-4-sulfanyl-butanoic acid

Systemtic Name: 2-[6-(methylamino)-1,3-benzothiazol-2-yl]-4-oxidanylidene-4-sulfanyl-butanoic acid Openeye Name: 2-[6-(methylamino)-1,3-benzothiazol-2-yl]-4-oxo-4-sulfanyl-butanoic acid CAS Name: 4-mercapto-2-[6-(methylamino)-1,3-benzothiazol-2-yl]-4-oxobutanoic acid IUPAC Name: 2-[6-(methylamino)-1,3-benzothiazol-2-yl]-4-oxo-4-sulfanylbutanoic acid Traditional Name: 4-keto-4-mercapto-2-[6-(methylamino)-1,3-benzothiazol-2-yl]butyric acid Formula: C12H12N2O3S2 MolecularWeight: 296.36528

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC2=C(C=C1)N=C(S2)C(CC(=O)S)C(=O)O

Isomeric SMILES

CNC1=CC2=C(C=C1)N=C(S2)C(CC(=O)S)C(=O)O

InChI

InChI=1S/C12H12N2O3S2/c1-13-6-2-3-8-9(4-6)19-11(14-8)7(12(16)17)5-10(15)18/h2-4,7,13H,5H2,1H3,(H,15,18)(H,16,17)