2,4-dimethyl-5-(1,3-thiazol-4-ylmethylsulfonyl)benzoic acid

Systemtic Name: 2,4-dimethyl-5-(1,3-thiazol-4-ylmethylsulfonyl)benzoic acid Openeye Name: 2,4-dimethyl-5-(thiazol-4-ylmethylsulfonyl)benzoic acid CAS Name: 2,4-dimethyl-5-(4-thiazolylmethylsulfonyl)benzoic acid IUPAC Name: 2,4-dimethyl-5-(1,3-thiazol-4-ylmethylsulfonyl)benzoic acid Traditional Name: 2,4-dimethyl-5-(thiazol-4-ylmethylsulfonyl)benzoic acid Formula: C13H13NO4S2 MolecularWeight: 311.37662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)CC2=CSC=N2)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)CC2=CSC=N2)C

InChI

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