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

Systemtic Name: 3,4-dimethyl-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfonyl]benzoic acid Openeye Name: 3,4-dimethyl-5-[(2-methylthiazol-4-yl)methylsulfonyl]benzoic acid CAS Name: 3,4-dimethyl-5-[(2-methyl-4-thiazolyl)methylsulfonyl]benzoic acid IUPAC Name: 3,4-dimethyl-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfonyl]benzoic acid Traditional Name: 3,4-dimethyl-5-[(2-methylthiazol-4-yl)methylsulfonyl]benzoic acid Formula: C14H15NO4S2 MolecularWeight: 325.4032

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C14H15NO4S2/c1-8-4-11(14(16)17)5-13(9(8)2)21(18,19)7-12-6-20-10(3)15-12/h4-6H,7H2,1-3H3,(H,16,17)