2-(2-methylpropyl)-1,3-benzothiazole-6-carboxylic acid

Systemtic Name: 2-(2-methylpropyl)-1,3-benzothiazole-6-carboxylic acid Openeye Name: 2-isobutyl-1,3-benzothiazole-6-carboxylic acid CAS Name: 2-(2-methylpropyl)-1,3-benzothiazole-6-carboxylic acid IUPAC Name: 2-(2-methylpropyl)-1,3-benzothiazole-6-carboxylic acid Traditional Name: 2-isobutyl-1,3-benzothiazole-6-carboxylic acid Formula: C12H13NO2S MolecularWeight: 235.30212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC2=C(S1)C=C(C=C2)C(=O)O

Isomeric SMILES

CC(C)CC1=NC2=C(S1)C=C(C=C2)C(=O)O

InChI

InChI=1S/C12H13NO2S/c1-7(2)5-11-13-9-4-3-8(12(14)15)6-10(9)16-11/h3-4,6-7H,5H2,1-2H3,(H,14,15)