4-[1,3-benzothiazol-6-ylcarbonyl(methyl)amino]butanoic acid

Systemtic Name: 4-[1,3-benzothiazol-6-ylcarbonyl(methyl)amino]butanoic acid Openeye Name: 4-[1,3-benzothiazole-6-carbonyl(methyl)amino]butanoic acid CAS Name: 4-[[1,3-benzothiazol-6-yl(oxo)methyl]-methylamino]butanoic acid IUPAC Name: 4-[1,3-benzothiazole-6-carbonyl(methyl)amino]butanoic acid Traditional Name: 4-[1,3-benzothiazole-6-carbonyl(methyl)amino]butyric acid Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)C(=O)C1=CC2=C(C=C1)N=CS2

Isomeric SMILES

CN(CCCC(=O)O)C(=O)C1=CC2=C(C=C1)N=CS2

InChI

InChI=1S/C13H14N2O3S/c1-15(6-2-3-12(16)17)13(18)9-4-5-10-11(7-9)19-8-14-10/h4-5,7-8H,2-3,6H2,1H3,(H,16,17)