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

Systemtic Name: 2-[[5-[(4-fluorophenyl)methyl]-6-methyl-4-oxidanylidene-1H-pyridin-2-yl]sulfanyl]hexanoic acid Openeye Name: 2-[[5-[(4-fluorophenyl)methyl]-6-methyl-4-oxo-1H-pyridin-2-yl]sulfanyl]hexanoic acid CAS Name: 2-[[5-[(4-fluorophenyl)methyl]-6-methyl-4-oxo-1H-pyridin-2-yl]thio]hexanoic acid IUPAC Name: 2-[[5-[(4-fluorophenyl)methyl]-6-methyl-4-oxo-1H-pyridin-2-yl]sulfanyl]hexanoic acid Traditional Name: 2-[[5-(4-fluorobenzyl)-4-keto-6-methyl-1H-pyridin-2-yl]thio]hexanoic acid Formula: C19H22FNO3S MolecularWeight: 363.446283

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)SC1=CC(=O)C(=C(N1)C)CC2=CC=C(C=C2)F

Isomeric SMILES

CCCCC(C(=O)O)SC1=CC(=O)C(=C(N1)C)CC2=CC=C(C=C2)F

InChI

InChI=1S/C19H22FNO3S/c1-3-4-5-17(19(23)24)25-18-11-16(22)15(12(2)21-18)10-13-6-8-14(20)9-7-13/h6-9,11,17H,3-5,10H2,1-2H3,(H,21,22)(H,23,24)