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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12FNO3S/c1-2-9(13(17)18)15-12(16)11-6-7-5-8(14)3-4-10(7)19-11/h3-6,9H,2H2,1H3,(H,15,16)(H,17,18)