4-[(5-fluoranyl-1-benzothiophen-2-yl)carbonylamino]butanoic acid

Systemtic Name: 4-[(5-fluoranyl-1-benzothiophen-2-yl)carbonylamino]butanoic acid Openeye Name: 4-[(5-fluorobenzothiophene-2-carbonyl)amino]butanoic acid CAS Name: 4-[[(5-fluoro-1-benzothiophen-2-yl)-oxomethyl]amino]butanoic acid IUPAC Name: 4-[(5-fluoro-1-benzothiophene-2-carbonyl)amino]butanoic acid Traditional Name: 4-[(5-fluorobenzothiophene-2-carbonyl)amino]butyric acid Formula: C13H12FNO3S MolecularWeight: 281.302683

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1F)C=C(S2)C(=O)NCCCC(=O)O

Isomeric SMILES

C1=CC2=C(C=C1F)C=C(S2)C(=O)NCCCC(=O)O

InChI

InChI=1S/C13H12FNO3S/c14-9-3-4-10-8(6-9)7-11(19-10)13(18)15-5-1-2-12(16)17/h3-4,6-7H,1-2,5H2,(H,15,18)(H,16,17)