1-(1,1-dithiophen-2-ylbut-3-en-2-yl)piperidine-3-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(C(C1=CC=CS1)C2=CC=CS2)N3CCCC(C3)C(=O)O

Isomeric SMILES

C=CC(C(C1=CC=CS1)C2=CC=CS2)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C18H21NO2S2/c1-2-14(19-9-3-6-13(12-19)18(20)21)17(15-7-4-10-22-15)16-8-5-11-23-16/h2,4-5,7-8,10-11,13-14,17H,1,3,6,9,12H2,(H,20,21)