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

Systemtic Name: 3-[(5-fluoranyl-1-benzothiophen-2-yl)carbonylamino]propanoic acid Openeye Name: 3-[(5-fluorobenzothiophene-2-carbonyl)amino]propanoic acid CAS Name: 3-[[(5-fluoro-1-benzothiophen-2-yl)-oxomethyl]amino]propanoic acid IUPAC Name: 3-[(5-fluoro-1-benzothiophene-2-carbonyl)amino]propanoic acid Traditional Name: 3-[(5-fluorobenzothiophene-2-carbonyl)amino]propionic acid Formula: C12H10FNO3S MolecularWeight: 267.276103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10FNO3S/c13-8-1-2-9-7(5-8)6-10(18-9)12(17)14-4-3-11(15)16/h1-2,5-6H,3-4H2,(H,14,17)(H,15,16)