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

Systemtic Name: 3-[[5-[(4-fluorophenyl)methyl]-6-methyl-4-oxidanylidene-1H-pyridin-2-yl]sulfanyl]propanoic acid Openeye Name: 3-[[5-[(4-fluorophenyl)methyl]-6-methyl-4-oxo-1H-pyridin-2-yl]sulfanyl]propanoic acid CAS Name: 3-[[5-[(4-fluorophenyl)methyl]-6-methyl-4-oxo-1H-pyridin-2-yl]thio]propanoic acid IUPAC Name: 3-[[5-[(4-fluorophenyl)methyl]-6-methyl-4-oxo-1H-pyridin-2-yl]sulfanyl]propanoic acid Traditional Name: 3-[[5-(4-fluorobenzyl)-4-keto-6-methyl-1H-pyridin-2-yl]thio]propionic acid Formula: C16H16FNO3S MolecularWeight: 321.366543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16FNO3S/c1-10-13(8-11-2-4-12(17)5-3-11)14(19)9-15(18-10)22-7-6-16(20)21/h2-5,9H,6-8H2,1H3,(H,18,19)(H,20,21)