4-[2-(2-azanyl-4-fluoranyl-phenyl)sulfanylethanoylamino]butanoic acid

Systemtic Name: 4-[2-(2-azanyl-4-fluoranyl-phenyl)sulfanylethanoylamino]butanoic acid Openeye Name: 4-[[2-(2-amino-4-fluoro-phenyl)sulfanylacetyl]amino]butanoic acid CAS Name: 4-[[2-[(2-amino-4-fluorophenyl)thio]-1-oxoethyl]amino]butanoic acid IUPAC Name: 4-[[2-(2-amino-4-fluorophenyl)sulfanylacetyl]amino]butanoic acid Traditional Name: 4-[[2-[(2-amino-4-fluoro-phenyl)thio]acetyl]amino]butyric acid Formula: C12H15FN2O3S MolecularWeight: 286.322503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)N)SCC(=O)NCCCC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1F)N)SCC(=O)NCCCC(=O)O

InChI

InChI=1S/C12H15FN2O3S/c13-8-3-4-10(9(14)6-8)19-7-11(16)15-5-1-2-12(17)18/h3-4,6H,1-2,5,7,14H2,(H,15,16)(H,17,18)