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

Systemtic Name: 5-[2-acetamido-4-(2-methyl-1,3-thiazol-4-yl)phenoxy]sulfonyl-2-fluoranyl-benzoic acid Openeye Name: 5-[2-acetamido-4-(2-methylthiazol-4-yl)phenoxy]sulfonyl-2-fluoro-benzoic acid CAS Name: 5-[2-acetamido-4-(2-methyl-4-thiazolyl)phenoxy]sulfonyl-2-fluorobenzoic acid IUPAC Name: 5-[2-acetamido-4-(2-methyl-1,3-thiazol-4-yl)phenoxy]sulfonyl-2-fluorobenzoic acid Traditional Name: 5-[2-acetamido-4-(2-methylthiazol-4-yl)phenoxy]sulfonyl-2-fluoro-benzoic acid Formula: C19H15FN2O6S2 MolecularWeight: 450.460603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C2=CC(=C(C=C2)OS(=O)(=O)C3=CC(=C(C=C3)F)C(=O)O)NC(=O)C

Isomeric SMILES

CC1=NC(=CS1)C2=CC(=C(C=C2)OS(=O)(=O)C3=CC(=C(C=C3)F)C(=O)O)NC(=O)C

InChI

InChI=1S/C19H15FN2O6S2/c1-10(23)21-16-7-12(17-9-29-11(2)22-17)3-6-18(16)28-30(26,27)13-4-5-15(20)14(8-13)19(24)25/h3-9H,1-2H3,(H,21,23)(H,24,25)