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

Systemtic Name: 1,2-bis[1-(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid Openeye Name: 1,2-bis[1-(3-methyl-2-thienyl)but-3-enyl]piperidine-3-carboxylic acid CAS Name: 1,2-bis[1-(3-methyl-2-thiophenyl)but-3-enyl]-3-piperidinecarboxylic acid IUPAC Name: 1,2-bis[1-(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid Traditional Name: 1,2-bis[1-(3-methyl-2-thienyl)but-3-enyl]nipecotic acid Formula: C24H31NO2S2 MolecularWeight: 429.63844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(CC=C)C2C(CCCN2C(CC=C)C3=C(C=CS3)C)C(=O)O

Isomeric SMILES

CC1=C(SC=C1)C(CC=C)C2C(CCCN2C(CC=C)C3=C(C=CS3)C)C(=O)O

InChI

InChI=1S/C24H31NO2S2/c1-5-8-18(22-16(3)11-14-28-22)21-19(24(26)27)10-7-13-25(21)20(9-6-2)23-17(4)12-15-29-23/h5-6,11-12,14-15,18-21H,1-2,7-10,13H2,3-4H3,(H,26,27)