3-(3-chloranyl-4-methyl-phenyl)-1,2-thiazole-5-carboxylic acid

Systemtic Name: 3-(3-chloranyl-4-methyl-phenyl)-1,2-thiazole-5-carboxylic acid Openeye Name: 3-(3-chloro-4-methyl-phenyl)isothiazole-5-carboxylic acid CAS Name: 3-(3-chloro-4-methylphenyl)-5-isothiazolecarboxylic acid IUPAC Name: 3-(3-chloro-4-methylphenyl)-1,2-thiazole-5-carboxylic acid Traditional Name: 3-(3-chloro-4-methyl-phenyl)isothiazole-5-carboxylic acid Formula: C11H8ClNO2S MolecularWeight: 253.70472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NSC(=C2)C(=O)O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NSC(=C2)C(=O)O)Cl

InChI

InChI=1S/C11H8ClNO2S/c1-6-2-3-7(4-8(6)12)9-5-10(11(14)15)16-13-9/h2-5H,1H3,(H,14,15)