4-(2-bromanyl-6-fluoranyl-1-benzothiophen-3-yl)piperazine-1-carboxylic acid

Systemtic Name: 4-(2-bromanyl-6-fluoranyl-1-benzothiophen-3-yl)piperazine-1-carboxylic acid Openeye Name: 4-(2-bromo-6-fluoro-benzothiophen-3-yl)piperazine-1-carboxylic acid CAS Name: 4-(2-bromo-6-fluoro-1-benzothiophen-3-yl)-1-piperazinecarboxylic acid IUPAC Name: 4-(2-bromo-6-fluoro-1-benzothiophen-3-yl)piperazine-1-carboxylic acid Traditional Name: 4-(2-bromo-6-fluoro-benzothiophen-3-yl)piperazine-1-carboxylic acid Formula: C13H12BrFN2O2S MolecularWeight: 359.213983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(SC3=C2C=CC(=C3)F)Br)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=C(SC3=C2C=CC(=C3)F)Br)C(=O)O

InChI

InChI=1S/C13H12BrFN2O2S/c14-12-11(9-2-1-8(15)7-10(9)20-12)16-3-5-17(6-4-16)13(18)19/h1-2,7H,3-6H2,(H,18,19)