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

Systemtic Name: 1-[(Z)-4-(3-methylthiophen-2-yl)-4-(4-methylthiophen-3-yl)but-3-enyl]piperidine-3-carboxylic acid Openeye Name: 1-[(Z)-4-(3-methyl-2-thienyl)-4-(4-methyl-3-thienyl)but-3-enyl]piperidine-3-carboxylic acid CAS Name: 1-[(Z)-4-(3-methyl-2-thiophenyl)-4-(4-methyl-3-thiophenyl)but-3-enyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(Z)-4-(3-methylthiophen-2-yl)-4-(4-methylthiophen-3-yl)but-3-enyl]piperidine-3-carboxylic acid Traditional Name: 1-[(Z)-4-(3-methyl-2-thienyl)-4-(4-methyl-3-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(=CCCN2CCCC(C2)C(=O)O)C3=CSC=C3C

Isomeric SMILES

CC1=C(SC=C1)/C(=C\CCN2CCCC(C2)C(=O)O)/C3=CSC=C3C

InChI

InChI=1S/C20H25NO2S2/c1-14-7-10-25-19(14)17(18-13-24-12-15(18)2)6-4-9-21-8-3-5-16(11-21)20(22)23/h6-7,10,12-13,16H,3-5,8-9,11H2,1-2H3,(H,22,23)/b17-6-