3-methyl-1,2-benzothiazole-5-carboxylic acid

Systemtic Name: 3-methyl-1,2-benzothiazole-5-carboxylic acid Openeye Name: 3-methyl-1,2-benzothiazole-5-carboxylic acid CAS Name: 3-methyl-1,2-benzothiazole-5-carboxylic acid IUPAC Name: 3-methyl-1,2-benzothiazole-5-carboxylic acid Traditional Name: 3-methyl-1,2-benzothiazole-5-carboxylic acid Formula: C9H7NO2S MolecularWeight: 193.22238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC2=C1C=C(C=C2)C(=O)O

Isomeric SMILES

CC1=NSC2=C1C=C(C=C2)C(=O)O

InChI

InChI=1S/C9H7NO2S/c1-5-7-4-6(9(11)12)2-3-8(7)13-10-5/h2-4H,1H3,(H,11,12)