2-[(4-aminocarbonyl-2-fluoranyl-phenyl)methylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[(4-aminocarbonyl-2-fluoranyl-phenyl)methylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[(4-carbamoyl-2-fluoro-phenyl)methylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[(4-carbamoyl-2-fluorophenyl)methylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[(4-carbamoyl-2-fluorophenyl)methylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[(4-carbamoyl-2-fluoro-benzyl)thio]nicotinic acid Formula: C14H11FN2O3S MolecularWeight: 306.312143

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCC2=C(C=C(C=C2)C(=O)N)F)C(=O)O

Isomeric SMILES

C1=CC(=C(N=C1)SCC2=C(C=C(C=C2)C(=O)N)F)C(=O)O

InChI

InChI=1S/C14H11FN2O3S/c15-11-6-8(12(16)18)3-4-9(11)7-21-13-10(14(19)20)2-1-5-17-13/h1-6H,7H2,(H2,16,18)(H,19,20)