1-(4,4-dithiophen-2-ylbut-3-enyl)piperidine-3-carboxylic acid

Systemtic Name: 1-(4,4-dithiophen-2-ylbut-3-enyl)piperidine-3-carboxylic acid Openeye Name: 1-[4,4-bis(2-thienyl)but-3-enyl]piperidine-3-carboxylic acid CAS Name: 1-(4,4-dithiophen-2-ylbut-3-enyl)-3-piperidinecarboxylic acid IUPAC Name: 1-(4,4-dithiophen-2-ylbut-3-enyl)piperidine-3-carboxylic acid Traditional Name: 1-[4,4-bis(2-thienyl)but-3-enyl]nipecotic acid Formula: C18H21NO2S2 MolecularWeight: 347.49484

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CCC=C(C2=CC=CS2)C3=CC=CS3)C(=O)O

Isomeric SMILES

C1CC(CN(C1)CCC=C(C2=CC=CS2)C3=CC=CS3)C(=O)O

InChI

InChI=1S/C18H21NO2S2/c20-18(21)14-5-1-9-19(13-14)10-2-6-15(16-7-3-11-22-16)17-8-4-12-23-17/h3-4,6-8,11-12,14H,1-2,5,9-10,13H2,(H,20,21)