2-ethyl-1-[2-(4-fluorophenyl)ethanethioyl]piperidine-4-carboxylic acid

Systemtic Name: 2-ethyl-1-[2-(4-fluorophenyl)ethanethioyl]piperidine-4-carboxylic acid Openeye Name: 2-ethyl-1-[2-(4-fluorophenyl)ethanethioyl]piperidine-4-carboxylic acid CAS Name: 2-ethyl-1-[2-(4-fluorophenyl)-1-sulfanylideneethyl]-4-piperidinecarboxylic acid IUPAC Name: 2-ethyl-1-[2-(4-fluorophenyl)ethanethioyl]piperidine-4-carboxylic acid Traditional Name: 2-ethyl-1-[2-(4-fluorophenyl)thioacetyl]isonipecotic acid Formula: C16H20FNO2S MolecularWeight: 309.398903

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(CCN1C(=S)CC2=CC=C(C=C2)F)C(=O)O

Isomeric SMILES

CCC1CC(CCN1C(=S)CC2=CC=C(C=C2)F)C(=O)O

InChI

InChI=1S/C16H20FNO2S/c1-2-14-10-12(16(19)20)7-8-18(14)15(21)9-11-3-5-13(17)6-4-11/h3-6,12,14H,2,7-10H2,1H3,(H,19,20)