4-[(4-methylsulfonylphenoxy)methyl]-1,3-thiazole-2-carboxylic acid

Systemtic Name: 4-[(4-methylsulfonylphenoxy)methyl]-1,3-thiazole-2-carboxylic acid Openeye Name: 4-[(4-methylsulfonylphenoxy)methyl]thiazole-2-carboxylic acid CAS Name: 4-[(4-methylsulfonylphenoxy)methyl]-2-thiazolecarboxylic acid IUPAC Name: 4-[(4-methylsulfonylphenoxy)methyl]-1,3-thiazole-2-carboxylic acid Traditional Name: 4-[(4-mesylphenoxy)methyl]thiazole-2-carboxylic acid Formula: C12H11NO5S2 MolecularWeight: 313.34944

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)OCC2=CSC(=N2)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)OCC2=CSC(=N2)C(=O)O

InChI

InChI=1S/C12H11NO5S2/c1-20(16,17)10-4-2-9(3-5-10)18-6-8-7-19-11(13-8)12(14)15/h2-5,7H,6H2,1H3,(H,14,15)