1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]piperidine-4-carboxylic acid Openeye Name: 1-[4,4-bis(3-methyl-2-thienyl)but-3-enyl]piperidine-4-carboxylic acid CAS Name: 1-[4,4-bis(3-methyl-2-thiophenyl)but-3-enyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]piperidine-4-carboxylic acid Traditional Name: 1-[4,4-bis(3-methyl-2-thienyl)but-3-enyl]isonipecotic acid Formula: C20H25NO2S2 MolecularWeight: 375.548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=CCCN2CCC(CC2)C(=O)O)C3=C(C=CS3)C

Isomeric SMILES

CC1=C(SC=C1)C(=CCCN2CCC(CC2)C(=O)O)C3=C(C=CS3)C

InChI

InChI=1S/C20H25NO2S2/c1-14-7-12-24-18(14)17(19-15(2)8-13-25-19)4-3-9-21-10-5-16(6-11-21)20(22)23/h4,7-8,12-13,16H,3,5-6,9-11H2,1-2H3,(H,22,23)