2-[(4-fluorophenyl)methylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[(4-fluorophenyl)methylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(4-fluorophenyl)methylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[(4-fluorophenyl)methylamino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(4-fluorophenyl)methylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(4-fluorobenzyl)amino]-4-(methylthio)butyric acid Formula: C12H16FNO2S MolecularWeight: 257.324343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NCC1=CC=C(C=C1)F

Isomeric SMILES

CSCCC(C(=O)O)NCC1=CC=C(C=C1)F

InChI

InChI=1S/C12H16FNO2S/c1-17-7-6-11(12(15)16)14-8-9-2-4-10(13)5-3-9/h2-5,11,14H,6-8H2,1H3,(H,15,16)