4-[2,6-bis(fluoranyl)-1-benzothiophen-3-yl]piperazine-1-carboxylic acid

Systemtic Name: 4-[2,6-bis(fluoranyl)-1-benzothiophen-3-yl]piperazine-1-carboxylic acid Openeye Name: 4-(2,6-difluorobenzothiophen-3-yl)piperazine-1-carboxylic acid CAS Name: 4-(2,6-difluoro-1-benzothiophen-3-yl)-1-piperazinecarboxylic acid IUPAC Name: 4-(2,6-difluoro-1-benzothiophen-3-yl)piperazine-1-carboxylic acid Traditional Name: 4-(2,6-difluorobenzothiophen-3-yl)piperazine-1-carboxylic acid Formula: C13H12F2N2O2S MolecularWeight: 298.308386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12F2N2O2S/c14-8-1-2-9-10(7-8)20-12(15)11(9)16-3-5-17(6-4-16)13(18)19/h1-2,7H,3-6H2,(H,18,19)