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

Systemtic Name: 3-chloranyl-5-phenyl-1,2-thiazole-4-carboxylic acid Openeye Name: 3-chloro-5-phenyl-isothiazole-4-carboxylic acid CAS Name: 3-chloro-5-phenyl-4-isothiazolecarboxylic acid IUPAC Name: 3-chloro-5-phenyl-1,2-thiazole-4-carboxylic acid Traditional Name: 3-chloro-5-phenyl-isothiazole-4-carboxylic acid Formula: C10H6ClNO2S MolecularWeight: 239.67814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=NS2)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=NS2)Cl)C(=O)O

InChI

InChI=1S/C10H6ClNO2S/c11-9-7(10(13)14)8(15-12-9)6-4-2-1-3-5-6/h1-5H,(H,13,14)