3-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid

Systemtic Name: 3-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid Openeye Name: 3-[4,4-bis(3-methyl-2-thienyl)but-3-enyl]piperidine-3-carboxylic acid CAS Name: 3-[4,4-bis(3-methyl-2-thiophenyl)but-3-enyl]-3-piperidinecarboxylic acid IUPAC Name: 3-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid Traditional Name: 3-[4,4-bis(3-methyl-2-thienyl)but-3-enyl]nipecotic acid Formula: C20H25NO2S2 MolecularWeight: 375.548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=CCCC2(CCCNC2)C(=O)O)C3=C(C=CS3)C

Isomeric SMILES

CC1=C(SC=C1)C(=CCCC2(CCCNC2)C(=O)O)C3=C(C=CS3)C

InChI

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