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4-[2-carboxy-6-(trifluoromethyl)-1-benzothiophen-3-yl]piperidine-1-carboxylic acid

4-[2-carboxy-6-(trifluoromethyl)-1-benzothiophen-3-yl]piperidine-1-carboxylic acid

Systemtic Name:4-[2-carboxy-6-(trifluoromethyl)-1-benzothiophen-3-yl]piperidine-1-carboxylic acid
Openeye Name:4-[2-carboxy-6-(trifluoromethyl)benzothiophen-3-yl]piperidine-1-carboxylic acid
CAS Name:4-[2-carboxy-6-(trifluoromethyl)-1-benzothiophen-3-yl]-1-piperidinecarboxylic acid
IUPAC Name:4-[2-carboxy-6-(trifluoromethyl)-1-benzothiophen-3-yl]piperidine-1-carboxylic acid
Traditional Name:4-[2-carboxy-6-(trifluoromethyl)benzothiophen-3-yl]piperidine-1-carboxylic acid
Formula: C16H14F3NO4S
MolecularWeight: 373.34687
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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=C(SC3=C2C=CC(=C3)C(F)(F)F)C(=O)O)C(=O)O


Isomeric SMILES

C1CN(CCC1C2=C(SC3=C2C=CC(=C3)C(F)(F)F)C(=O)O)C(=O)O


InChI

InChI=1S/C16H14F3NO4S/c17-16(18,19)9-1-2-10-11(7-9)25-13(14(21)22)12(10)8-3-5-20(6-4-8)15(23)24/h1-2,7-8H,3-6H2,(H,21,22)(H,23,24)


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