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

Systemtic Name: 1-[(Z)-4-(3-ethylthiophen-2-yl)-4-thiophen-2-yl-but-3-enyl]piperidine-3-carboxylic acid Openeye Name: 1-[(Z)-4-(3-ethyl-2-thienyl)-4-(2-thienyl)but-3-enyl]piperidine-3-carboxylic acid CAS Name: 1-[(Z)-4-(3-ethyl-2-thiophenyl)-4-thiophen-2-ylbut-3-enyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(Z)-4-(3-ethylthiophen-2-yl)-4-thiophen-2-ylbut-3-enyl]piperidine-3-carboxylic acid Traditional Name: 1-[(Z)-4-(3-ethyl-2-thienyl)-4-(2-thienyl)but-3-enyl]nipecotic acid Formula: C20H25NO2S2 MolecularWeight: 375.548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO2S2/c1-2-15-9-13-25-19(15)17(18-8-5-12-24-18)7-4-11-21-10-3-6-16(14-21)20(22)23/h5,7-9,12-13,16H,2-4,6,10-11,14H2,1H3,(H,22,23)/b17-7-