2-(1,3-benzothiazol-6-ylcarbonylamino)-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-(1,3-benzothiazol-6-ylcarbonylamino)-4-methylsulfanyl-butanoic acid Openeye Name: 2-(1,3-benzothiazole-6-carbonylamino)-4-methylsulfanyl-butanoic acid CAS Name: 2-[[1,3-benzothiazol-6-yl(oxo)methyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-(1,3-benzothiazole-6-carbonylamino)-4-methylsulfanylbutanoic acid Traditional Name: 2-(1,3-benzothiazole-6-carbonylamino)-4-(methylthio)butyric acid Formula: C13H14N2O3S2 MolecularWeight: 310.39186

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=CC2=C(C=C1)N=CS2

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=CC2=C(C=C1)N=CS2

InChI

InChI=1S/C13H14N2O3S2/c1-19-5-4-10(13(17)18)15-12(16)8-2-3-9-11(6-8)20-7-14-9/h2-3,6-7,10H,4-5H2,1H3,(H,15,16)(H,17,18)