2-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfonyl]benzoic acid

Systemtic Name: 2-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfonyl]benzoic acid Openeye Name: 2-methyl-5-[(2-methylthiazol-4-yl)methylsulfonyl]benzoic acid CAS Name: 2-methyl-5-[(2-methyl-4-thiazolyl)methylsulfonyl]benzoic acid IUPAC Name: 2-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfonyl]benzoic acid Traditional Name: 2-methyl-5-[(2-methylthiazol-4-yl)methylsulfonyl]benzoic acid Formula: C13H13NO4S2 MolecularWeight: 311.37662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)CC2=CSC(=N2)C)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)CC2=CSC(=N2)C)C(=O)O

InChI

InChI=1S/C13H13NO4S2/c1-8-3-4-11(5-12(8)13(15)16)20(17,18)7-10-6-19-9(2)14-10/h3-6H,7H2,1-2H3,(H,15,16)