2-[(2,4-dimethoxyphenyl)methylsulfanyl]-6-fluoranyl-pyridine-3-carboxylic acid

Systemtic Name: 2-[(2,4-dimethoxyphenyl)methylsulfanyl]-6-fluoranyl-pyridine-3-carboxylic acid Openeye Name: 2-[(2,4-dimethoxyphenyl)methylsulfanyl]-6-fluoro-pyridine-3-carboxylic acid CAS Name: 2-[(2,4-dimethoxyphenyl)methylthio]-6-fluoro-3-pyridinecarboxylic acid IUPAC Name: 2-[(2,4-dimethoxyphenyl)methylsulfanyl]-6-fluoropyridine-3-carboxylic acid Traditional Name: 2-[(2,4-dimethoxybenzyl)thio]-6-fluoro-nicotinic acid Formula: C15H14FNO4S MolecularWeight: 323.339363

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CSC2=C(C=CC(=N2)F)C(=O)O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CSC2=C(C=CC(=N2)F)C(=O)O)OC

InChI

InChI=1S/C15H14FNO4S/c1-20-10-4-3-9(12(7-10)21-2)8-22-14-11(15(18)19)5-6-13(16)17-14/h3-7H,8H2,1-2H3,(H,18,19)