1-[(3-methylthiophen-2-yl)-(4-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(3-methylthiophen-2-yl)-(4-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-methyl-2-thienyl)-(4-methyl-2-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-methyl-2-thiophenyl)-(4-methyl-2-thiophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-methylthiophen-2-yl)-(4-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3-methyl-2-thienyl)-(4-methyl-2-thienyl)methyl]nipecotic acid Formula: C17H21NO2S2 MolecularWeight: 335.48414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(C2=CC(=CS2)C)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC1=C(SC=C1)C(C2=CC(=CS2)C)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C17H21NO2S2/c1-11-8-14(22-10-11)15(16-12(2)5-7-21-16)18-6-3-4-13(9-18)17(19)20/h5,7-8,10,13,15H,3-4,6,9H2,1-2H3,(H,19,20)