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

Systemtic Name: 1-[(E)-4-(3-chloranylthiophen-2-yl)-4-(3-ethylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid Openeye Name: 1-[(E)-4-(3-chloro-2-thienyl)-4-(3-ethyl-2-thienyl)but-3-enyl]piperidine-3-carboxylic acid CAS Name: 1-[(E)-4-(3-chloro-2-thiophenyl)-4-(3-ethyl-2-thiophenyl)but-3-enyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(E)-4-(3-chlorothiophen-2-yl)-4-(3-ethylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid Traditional Name: 1-[(E)-4-(3-chloro-2-thienyl)-4-(3-ethyl-2-thienyl)but-3-enyl]nipecotic acid Formula: C20H24ClNO2S2 MolecularWeight: 409.99306

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC=C1)C(=CCCN2CCCC(C2)C(=O)O)C3=C(C=CS3)Cl

Isomeric SMILES

CCC1=C(SC=C1)/C(=C\CCN2CCCC(C2)C(=O)O)/C3=C(C=CS3)Cl

InChI

InChI=1S/C20H24ClNO2S2/c1-2-14-7-11-25-18(14)16(19-17(21)8-12-26-19)6-4-10-22-9-3-5-15(13-22)20(23)24/h6-8,11-12,15H,2-5,9-10,13H2,1H3,(H,23,24)/b16-6+