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

Systemtic Name: 2-(1,3-benzothiazol-6-ylcarbonylamino)-3,3-dimethyl-butanoic acid Openeye Name: 2-(1,3-benzothiazole-6-carbonylamino)-3,3-dimethyl-butanoic acid CAS Name: 2-[[1,3-benzothiazol-6-yl(oxo)methyl]amino]-3,3-dimethylbutanoic acid IUPAC Name: 2-(1,3-benzothiazole-6-carbonylamino)-3,3-dimethylbutanoic acid Traditional Name: 2-(1,3-benzothiazole-6-carbonylamino)-3,3-dimethyl-butyric acid Formula: C14H16N2O3S MolecularWeight: 292.35344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O3S/c1-14(2,3)11(13(18)19)16-12(17)8-4-5-9-10(6-8)20-7-15-9/h4-7,11H,1-3H3,(H,16,17)(H,18,19)