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

Systemtic Name: 2-(1,3-benzothiazol-6-ylcarbonylamino)-3-methyl-butanoic acid Openeye Name: 2-(1,3-benzothiazole-6-carbonylamino)-3-methyl-butanoic acid CAS Name: 2-[[1,3-benzothiazol-6-yl(oxo)methyl]amino]-3-methylbutanoic acid IUPAC Name: 2-(1,3-benzothiazole-6-carbonylamino)-3-methylbutanoic acid Traditional Name: 2-(1,3-benzothiazole-6-carbonylamino)-3-methyl-butyric acid Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O3S/c1-7(2)11(13(17)18)15-12(16)8-3-4-9-10(5-8)19-6-14-9/h3-7,11H,1-2H3,(H,15,16)(H,17,18)