3-[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thio]propanoic acid IUPAC Name: 3-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-[(4-fluorobenzyl)amino]-2-keto-ethyl]thio]propionic acid Formula: C12H14FNO3S MolecularWeight: 271.307863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)CSCCC(=O)O)F

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)CSCCC(=O)O)F

InChI

InChI=1S/C12H14FNO3S/c13-10-3-1-9(2-4-10)7-14-11(15)8-18-6-5-12(16)17/h1-4H,5-8H2,(H,14,15)(H,16,17)