3-[(5-aminocarbonyl-2-fluoranyl-phenyl)methylsulfanyl]propanoic acid

Systemtic Name: 3-[(5-aminocarbonyl-2-fluoranyl-phenyl)methylsulfanyl]propanoic acid Openeye Name: 3-[(5-carbamoyl-2-fluoro-phenyl)methylsulfanyl]propanoic acid CAS Name: 3-[(5-carbamoyl-2-fluorophenyl)methylthio]propanoic acid IUPAC Name: 3-[(5-carbamoyl-2-fluorophenyl)methylsulfanyl]propanoic acid Traditional Name: 3-[(5-carbamoyl-2-fluoro-benzyl)thio]propionic acid Formula: C11H12FNO3S MolecularWeight: 257.281283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)N)CSCCC(=O)O)F

Isomeric SMILES

C1=CC(=C(C=C1C(=O)N)CSCCC(=O)O)F

InChI

InChI=1S/C11H12FNO3S/c12-9-2-1-7(11(13)16)5-8(9)6-17-4-3-10(14)15/h1-2,5H,3-4,6H2,(H2,13,16)(H,14,15)