2-[4-(5-chloranyl-2-methylsulfonyl-phenyl)-1,3-thiazol-2-yl]ethanoic acid

Systemtic Name: 2-[4-(5-chloranyl-2-methylsulfonyl-phenyl)-1,3-thiazol-2-yl]ethanoic acid Openeye Name: 2-[4-(5-chloro-2-methylsulfonyl-phenyl)thiazol-2-yl]acetic acid CAS Name: 2-[4-(5-chloro-2-methylsulfonylphenyl)-2-thiazolyl]acetic acid IUPAC Name: 2-[4-(5-chloro-2-methylsulfonylphenyl)-1,3-thiazol-2-yl]acetic acid Traditional Name: 2-[4-(5-chloro-2-mesyl-phenyl)thiazol-2-yl]acetic acid Formula: C12H10ClNO4S2 MolecularWeight: 331.7951

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)Cl)C2=CSC(=N2)CC(=O)O

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)Cl)C2=CSC(=N2)CC(=O)O

InChI

InChI=1S/C12H10ClNO4S2/c1-20(17,18)10-3-2-7(13)4-8(10)9-6-19-11(14-9)5-12(15)16/h2-4,6H,5H2,1H3,(H,15,16)