3-[(5-fluoranyl-1-benzothiophen-2-yl)carbonylamino]butanoic acid

Systemtic Name: 3-[(5-fluoranyl-1-benzothiophen-2-yl)carbonylamino]butanoic acid Openeye Name: 3-[(5-fluorobenzothiophene-2-carbonyl)amino]butanoic acid CAS Name: 3-[[(5-fluoro-1-benzothiophen-2-yl)-oxomethyl]amino]butanoic acid IUPAC Name: 3-[(5-fluoro-1-benzothiophene-2-carbonyl)amino]butanoic acid Traditional Name: 3-[(5-fluorobenzothiophene-2-carbonyl)amino]butyric acid Formula: C13H12FNO3S MolecularWeight: 281.302683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)NC(=O)C1=CC2=C(S1)C=CC(=C2)F

Isomeric SMILES

CC(CC(=O)O)NC(=O)C1=CC2=C(S1)C=CC(=C2)F

InChI

InChI=1S/C13H12FNO3S/c1-7(4-12(16)17)15-13(18)11-6-8-5-9(14)2-3-10(8)19-11/h2-3,5-7H,4H2,1H3,(H,15,18)(H,16,17)