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

Systemtic Name: 2-[2-[(4-fluoranyl-1-benzothiophen-2-yl)carbonylamino]ethanoylamino]ethanoic acid Openeye Name: 2-[[2-[(4-fluorobenzothiophene-2-carbonyl)amino]acetyl]amino]acetic acid CAS Name: 2-[[2-[[(4-fluoro-1-benzothiophen-2-yl)-oxomethyl]amino]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]acetyl]amino]acetic acid Traditional Name: 2-[[2-[(4-fluorobenzothiophene-2-carbonyl)amino]acetyl]amino]acetic acid Formula: C13H11FN2O4S MolecularWeight: 310.300843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11FN2O4S/c14-8-2-1-3-9-7(8)4-10(21-9)13(20)16-5-11(17)15-6-12(18)19/h1-4H,5-6H2,(H,15,17)(H,16,20)(H,18,19)