4-[[5-fluoranyl-2-(3-methylsulfanylphenoxy)pyridin-3-yl]carbonylamino]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[5-fluoranyl-2-(3-methylsulfanylphenoxy)pyridin-3-yl]carbonylamino]cyclohexane-1-carboxylic acid Openeye Name: 4-[[5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carbonyl]amino]cyclohexanecarboxylic acid CAS Name: 4-[[[5-fluoro-2-[3-(methylthio)phenoxy]-3-pyridinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 4-[[5-fluoro-2-[3-(methylthio)phenoxy]nicotinoyl]amino]cyclohexanecarboxylic acid Formula: C20H21FN2O4S MolecularWeight: 404.455143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)OC2=NC=C(C=C2C(=O)NC3CCC(CC3)C(=O)O)F

Isomeric SMILES

CSC1=CC=CC(=C1)OC2=NC=C(C=C2C(=O)NC3CCC(CC3)C(=O)O)F

InChI

InChI=1S/C20H21FN2O4S/c1-28-16-4-2-3-15(10-16)27-19-17(9-13(21)11-22-19)18(24)23-14-7-5-12(6-8-14)20(25)26/h2-4,9-12,14H,5-8H2,1H3,(H,23,24)(H,25,26)