3-[2-[(4-fluoranyl-3-methyl-phenyl)methylamino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-[(4-fluoranyl-3-methyl-phenyl)methylamino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-[(4-fluoro-3-methyl-phenyl)methylamino]-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-[(4-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]thio]propanoic acid IUPAC Name: 3-[2-[(4-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-[(4-fluoro-3-methyl-benzyl)amino]-2-keto-ethyl]thio]propionic acid Formula: C13H16FNO3S MolecularWeight: 285.334443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CNC(=O)CSCCC(=O)O)F

Isomeric SMILES

CC1=C(C=CC(=C1)CNC(=O)CSCCC(=O)O)F

InChI

InChI=1S/C13H16FNO3S/c1-9-6-10(2-3-11(9)14)7-15-12(16)8-19-5-4-13(17)18/h2-3,6H,4-5,7-8H2,1H3,(H,15,16)(H,17,18)