2-[4-[4-[[[2-(2,1,3-benzothiadiazol-5-yloxy)pyridin-3-yl]carbonylamino]methyl]phenyl]-3-fluoranyl-phenyl]-2-methyl-propanoic acid

Systemtic Name: 2-[4-[4-[[[2-(2,1,3-benzothiadiazol-5-yloxy)pyridin-3-yl]carbonylamino]methyl]phenyl]-3-fluoranyl-phenyl]-2-methyl-propanoic acid Openeye Name: 2-[4-[4-[[[2-(2,1,3-benzothiadiazol-5-yloxy)pyridine-3-carbonyl]amino]methyl]phenyl]-3-fluoro-phenyl]-2-methyl-propanoic acid CAS Name: 2-[4-[4-[[[[2-(2,1,3-benzothiadiazol-5-yloxy)-3-pyridinyl]-oxomethyl]amino]methyl]phenyl]-3-fluorophenyl]-2-methylpropanoic acid IUPAC Name: 2-[4-[4-[[[2-(2,1,3-benzothiadiazol-5-yloxy)pyridine-3-carbonyl]amino]methyl]phenyl]-3-fluorophenyl]-2-methylpropanoic acid Traditional Name: 2-[3-fluoro-4-[4-[[(2-piazthiol-5-yloxynicotinoyl)amino]methyl]phenyl]phenyl]-2-methyl-propionic acid Formula: C29H23FN4O4S MolecularWeight: 542.580723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC(=C(C=C1)C2=CC=C(C=C2)CNC(=O)C3=C(N=CC=C3)OC4=CC5=NSN=C5C=C4)F)C(=O)O

Isomeric SMILES

CC(C)(C1=CC(=C(C=C1)C2=CC=C(C=C2)CNC(=O)C3=C(N=CC=C3)OC4=CC5=NSN=C5C=C4)F)C(=O)O

InChI

InChI=1S/C29H23FN4O4S/c1-29(2,28(36)37)19-9-11-21(23(30)14-19)18-7-5-17(6-8-18)16-32-26(35)22-4-3-13-31-27(22)38-20-10-12-24-25(15-20)34-39-33-24/h3-15H,16H2,1-2H3,(H,32,35)(H,36,37)