3-methyl-2-(3-oxidanylidene-1,2-benzothiazol-2-yl)pentanoic acid

Systemtic Name: 3-methyl-2-(3-oxidanylidene-1,2-benzothiazol-2-yl)pentanoic acid Openeye Name: 3-methyl-2-(3-oxo-1,2-benzothiazol-2-yl)pentanoic acid CAS Name: 3-methyl-2-(3-oxo-1,2-benzothiazol-2-yl)pentanoic acid IUPAC Name: 3-methyl-2-(3-oxo-1,2-benzothiazol-2-yl)pentanoic acid Traditional Name: 2-(3-keto-1,2-benzothiazol-2-yl)-3-methyl-valeric acid Formula: C13H15NO3S MolecularWeight: 265.3281

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)N1C(=O)C2=CC=CC=C2S1

Isomeric SMILES

CCC(C)C(C(=O)O)N1C(=O)C2=CC=CC=C2S1

InChI

InChI=1S/C13H15NO3S/c1-3-8(2)11(13(16)17)14-12(15)9-6-4-5-7-10(9)18-14/h4-8,11H,3H2,1-2H3,(H,16,17)