3-[[5-[(4-fluorophenyl)methyl]-6-oxidanyl-4-oxidanylidene-1H-pyridin-2-yl]sulfanyl]propanoic acid

Systemtic Name: 3-[[5-[(4-fluorophenyl)methyl]-6-oxidanyl-4-oxidanylidene-1H-pyridin-2-yl]sulfanyl]propanoic acid Openeye Name: 3-[[5-[(4-fluorophenyl)methyl]-6-hydroxy-4-oxo-1H-pyridin-2-yl]sulfanyl]propanoic acid CAS Name: 3-[[5-[(4-fluorophenyl)methyl]-6-hydroxy-4-oxo-1H-pyridin-2-yl]thio]propanoic acid IUPAC Name: 3-[[5-[(4-fluorophenyl)methyl]-6-hydroxy-4-oxo-1H-pyridin-2-yl]sulfanyl]propanoic acid Traditional Name: 3-[[5-(4-fluorobenzyl)-6-hydroxy-4-keto-1H-pyridin-2-yl]thio]propionic acid Formula: C15H14FNO4S MolecularWeight: 323.339363

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=C(NC(=CC2=O)SCCC(=O)O)O)F

Isomeric SMILES

C1=CC(=CC=C1CC2=C(NC(=CC2=O)SCCC(=O)O)O)F

InChI

InChI=1S/C15H14FNO4S/c16-10-3-1-9(2-4-10)7-11-12(18)8-13(17-15(11)21)22-6-5-14(19)20/h1-4,8H,5-7H2,(H,19,20)(H2,17,18,21)