1-[(E)-4-(3-chloranylthiophen-2-yl)-4-thiophen-2-yl-but-3-enyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(E)-4-(3-chloranylthiophen-2-yl)-4-thiophen-2-yl-but-3-enyl]piperidine-3-carboxylic acid Openeye Name: 1-[(E)-4-(3-chloro-2-thienyl)-4-(2-thienyl)but-3-enyl]piperidine-3-carboxylic acid CAS Name: 1-[(E)-4-(3-chloro-2-thiophenyl)-4-thiophen-2-ylbut-3-enyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(E)-4-(3-chlorothiophen-2-yl)-4-thiophen-2-ylbut-3-enyl]piperidine-3-carboxylic acid Traditional Name: 1-[(E)-4-(3-chloro-2-thienyl)-4-(2-thienyl)but-3-enyl]nipecotic acid Formula: C18H20ClNO2S2 MolecularWeight: 381.9399

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CC(CN(C1)CC/C=C(\C2=CC=CS2)/C3=C(C=CS3)Cl)C(=O)O

InChI

InChI=1S/C18H20ClNO2S2/c19-15-7-11-24-17(15)14(16-6-3-10-23-16)5-2-9-20-8-1-4-13(12-20)18(21)22/h3,5-7,10-11,13H,1-2,4,8-9,12H2,(H,21,22)/b14-5+