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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=C(SC2=C1)C(=O)NCCCC(=O)O)F

Isomeric SMILES

C1=CC(=C2C=C(SC2=C1)C(=O)NCCCC(=O)O)F

InChI

InChI=1S/C13H12FNO3S/c14-9-3-1-4-10-8(9)7-11(19-10)13(18)15-6-2-5-12(16)17/h1,3-4,7H,2,5-6H2,(H,15,18)(H,16,17)