4-[(2-fluoranyl-4-methylsulfanyl-phenyl)amino]-1-methyl-6-oxidanylidene-pyridine-3-carboxylic acid

Systemtic Name: 4-[(2-fluoranyl-4-methylsulfanyl-phenyl)amino]-1-methyl-6-oxidanylidene-pyridine-3-carboxylic acid Openeye Name: 4-(2-fluoro-4-methylsulfanyl-anilino)-1-methyl-6-oxo-pyridine-3-carboxylic acid CAS Name: 4-[2-fluoro-4-(methylthio)anilino]-1-methyl-6-oxo-3-pyridinecarboxylic acid IUPAC Name: 4-(2-fluoro-4-methylsulfanylanilino)-1-methyl-6-oxopyridine-3-carboxylic acid Traditional Name: 4-[2-fluoro-4-(methylthio)anilino]-6-keto-1-methyl-nicotinic acid Formula: C14H13FN2O3S MolecularWeight: 308.328023

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=CC1=O)NC2=C(C=C(C=C2)SC)F)C(=O)O

Isomeric SMILES

CN1C=C(C(=CC1=O)NC2=C(C=C(C=C2)SC)F)C(=O)O

InChI

InChI=1S/C14H13FN2O3S/c1-17-7-9(14(19)20)12(6-13(17)18)16-11-4-3-8(21-2)5-10(11)15/h3-7,16H,1-2H3,(H,19,20)