2-butyl-1,3-benzothiazole-6-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(S1)C=C(C=C2)C(=O)O

Isomeric SMILES

CCCCC1=NC2=C(S1)C=C(C=C2)C(=O)O

InChI

InChI=1S/C12H13NO2S/c1-2-3-4-11-13-9-6-5-8(12(14)15)7-10(9)16-11/h5-7H,2-4H2,1H3,(H,14,15)