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

Systemtic Name: 2-[[5-[(4-fluorophenyl)methyl]-6-methyl-4-oxidanylidene-1H-pyridin-2-yl]sulfanyl]propanoic acid Openeye Name: 2-[[5-[(4-fluorophenyl)methyl]-6-methyl-4-oxo-1H-pyridin-2-yl]sulfanyl]propanoic acid CAS Name: 2-[[5-[(4-fluorophenyl)methyl]-6-methyl-4-oxo-1H-pyridin-2-yl]thio]propanoic acid IUPAC Name: 2-[[5-[(4-fluorophenyl)methyl]-6-methyl-4-oxo-1H-pyridin-2-yl]sulfanyl]propanoic acid Traditional Name: 2-[[5-(4-fluorobenzyl)-4-keto-6-methyl-1H-pyridin-2-yl]thio]propionic acid Formula: C16H16FNO3S MolecularWeight: 321.366543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C=C(N1)SC(C)C(=O)O)CC2=CC=C(C=C2)F

Isomeric SMILES

CC1=C(C(=O)C=C(N1)SC(C)C(=O)O)CC2=CC=C(C=C2)F

InChI

InChI=1S/C16H16FNO3S/c1-9-13(7-11-3-5-12(17)6-4-11)14(19)8-15(18-9)22-10(2)16(20)21/h3-6,8,10H,7H2,1-2H3,(H,18,19)(H,20,21)