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

Systemtic Name: 4-chloranyl-3-(3,4-dimethoxyphenyl)-1,2-thiazole-5-carboxylic acid Openeye Name: 4-chloro-3-(3,4-dimethoxyphenyl)isothiazole-5-carboxylic acid CAS Name: 4-chloro-3-(3,4-dimethoxyphenyl)-5-isothiazolecarboxylic acid IUPAC Name: 4-chloro-3-(3,4-dimethoxyphenyl)-1,2-thiazole-5-carboxylic acid Traditional Name: 4-chloro-3-(3,4-dimethoxyphenyl)isothiazole-5-carboxylic acid Formula: C12H10ClNO4S MolecularWeight: 299.7301

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NSC(=C2Cl)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NSC(=C2Cl)C(=O)O)OC

InChI

InChI=1S/C12H10ClNO4S/c1-17-7-4-3-6(5-8(7)18-2)10-9(13)11(12(15)16)19-14-10/h3-5H,1-2H3,(H,15,16)