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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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