3-methyl-2-(7-methyl-3-oxidanylidene-1,2-benzothiazol-2-yl)butanoic acid

Systemtic Name: 3-methyl-2-(7-methyl-3-oxidanylidene-1,2-benzothiazol-2-yl)butanoic acid Openeye Name: 3-methyl-2-(7-methyl-3-oxo-1,2-benzothiazol-2-yl)butanoic acid CAS Name: 3-methyl-2-(7-methyl-3-oxo-1,2-benzothiazol-2-yl)butanoic acid IUPAC Name: 3-methyl-2-(7-methyl-3-oxo-1,2-benzothiazol-2-yl)butanoic acid Traditional Name: 2-(3-keto-7-methyl-1,2-benzothiazol-2-yl)-3-methyl-butyric acid Formula: C13H15NO3S MolecularWeight: 265.3281

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1SN(C2=O)C(C(C)C)C(=O)O

Isomeric SMILES

CC1=CC=CC2=C1SN(C2=O)C(C(C)C)C(=O)O

InChI

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