2-azanylpropanoic acid; 3-fluoranyl-8-thiabicyclo[2.2.2]octa-1,3,5-triene

Systemtic Name: 2-azanylpropanoic acid; 3-fluoranyl-8-thiabicyclo[2.2.2]octa-1,3,5-triene Openeye Name: 2-aminopropanoic acid; 3-fluoro-8-thiabicyclo[2.2.2]octa-1,3,5-triene CAS Name: 2-aminopropanoic acid; 3-fluoro-8-thiabicyclo[2.2.2]octa-1,3,5-triene IUPAC Name: 2-aminopropanoic acid; 3-fluoro-8-thiabicyclo[2.2.2]octa-1,3,5-triene Traditional Name: 2-aminopropionic acid; 3-fluoro-8-thiabicyclo[2.2.2]octa-1,3,5-triene Formula: C10H12FNO2S MolecularWeight: 229.271183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N.C1C2=CC(=C(S1)C=C2)F

Isomeric SMILES

CC(C(=O)O)N.C1C2=CC(=C(S1)C=C2)F

InChI

InChI=1S/C7H5FS.C3H7NO2/c8-6-3-5-1-2-7(6)9-4-5;1-2(4)3(5)6/h1-3H,4H2;2H,4H2,1H3,(H,5,6)