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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC(=C12)F)C(=O)NCCC(=O)O

Isomeric SMILES

CC1=C(SC2=CC=CC(=C12)F)C(=O)NCCC(=O)O

InChI

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