3-[(4-fluoranyl-1-benzothiophen-2-yl)carbonylamino]butanoic acid

Systemtic Name: 3-[(4-fluoranyl-1-benzothiophen-2-yl)carbonylamino]butanoic acid Openeye Name: 3-[(4-fluorobenzothiophene-2-carbonyl)amino]butanoic acid CAS Name: 3-[[(4-fluoro-1-benzothiophen-2-yl)-oxomethyl]amino]butanoic acid IUPAC Name: 3-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]butanoic acid Traditional Name: 3-[(4-fluorobenzothiophene-2-carbonyl)amino]butyric acid Formula: C13H12FNO3S MolecularWeight: 281.302683

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)NC(=O)C1=CC2=C(C=CC=C2S1)F

Isomeric SMILES

CC(CC(=O)O)NC(=O)C1=CC2=C(C=CC=C2S1)F

InChI

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