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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)OC2=C(C=CC=N2)C(=O)NC3CCC(CC3F)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)OC2=C(C=CC=N2)C(=O)NC3CCC(CC3F)C(=O)O

InChI

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