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

Systemtic Name: 4-[(E)-1-(3-methylthiophen-2-yl)-4-(4-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid Openeye Name: 4-[(E)-1-(3-methyl-2-thienyl)-4-(4-methyl-2-thienyl)but-3-enyl]piperidine-3-carboxylic acid CAS Name: 4-[(E)-1-(3-methyl-2-thiophenyl)-4-(4-methyl-2-thiophenyl)but-3-enyl]-3-piperidinecarboxylic acid IUPAC Name: 4-[(E)-1-(3-methylthiophen-2-yl)-4-(4-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid Traditional Name: 4-[(E)-1-(3-methyl-2-thienyl)-4-(4-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(CC=CC2=CC(=CS2)C)C3CCNCC3C(=O)O

Isomeric SMILES

CC1=C(SC=C1)C(C/C=C/C2=CC(=CS2)C)C3CCNCC3C(=O)O

InChI

InChI=1S/C20H25NO2S2/c1-13-10-15(25-12-13)4-3-5-17(19-14(2)7-9-24-19)16-6-8-21-11-18(16)20(22)23/h3-4,7,9-10,12,16-18,21H,5-6,8,11H2,1-2H3,(H,22,23)/b4-3+