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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SN=C2C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)SN=C2C(=O)O

InChI

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