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

Systemtic Name: 3-fluoranyl-4-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfonyl]benzoic acid Openeye Name: 3-fluoro-4-methyl-5-[(2-methylthiazol-4-yl)methylsulfonyl]benzoic acid CAS Name: 3-fluoro-4-methyl-5-[(2-methyl-4-thiazolyl)methylsulfonyl]benzoic acid IUPAC Name: 3-fluoro-4-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfonyl]benzoic acid Traditional Name: 3-fluoro-4-methyl-5-[(2-methylthiazol-4-yl)methylsulfonyl]benzoic acid Formula: C13H12FNO4S2 MolecularWeight: 329.367083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1S(=O)(=O)CC2=CSC(=N2)C)C(=O)O)F

Isomeric SMILES

CC1=C(C=C(C=C1S(=O)(=O)CC2=CSC(=N2)C)C(=O)O)F

InChI

InChI=1S/C13H12FNO4S2/c1-7-11(14)3-9(13(16)17)4-12(7)21(18,19)6-10-5-20-8(2)15-10/h3-5H,6H2,1-2H3,(H,16,17)