3-chloranyl-4-methyl-2H-1,3-benzothiazole-5-carboxylic acid

Systemtic Name: 3-chloranyl-4-methyl-2H-1,3-benzothiazole-5-carboxylic acid Openeye Name: 3-chloro-4-methyl-2H-1,3-benzothiazole-5-carboxylic acid CAS Name: 3-chloro-4-methyl-2H-1,3-benzothiazole-5-carboxylic acid IUPAC Name: 3-chloro-4-methyl-2H-1,3-benzothiazole-5-carboxylic acid Traditional Name: 3-chloro-4-methyl-2H-1,3-benzothiazole-5-carboxylic acid Formula: C9H8ClNO2S MolecularWeight: 229.68332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N(CS2)Cl)C(=O)O

Isomeric SMILES

CC1=C(C=CC2=C1N(CS2)Cl)C(=O)O

InChI

InChI=1S/C9H8ClNO2S/c1-5-6(9(12)13)2-3-7-8(5)11(10)4-14-7/h2-3H,4H2,1H3,(H,12,13)