1-[(5-bromanylthiophen-2-yl)-(5-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(5-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-bromo-2-thienyl)-(5-methyl-2-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)-(5-methyl-2-thiophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromothiophen-2-yl)-(5-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-bromo-2-thienyl)-(5-methyl-2-thienyl)methyl]nipecotic acid Formula: C16H18BrNO2S2 MolecularWeight: 400.35362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(C2=CC=C(S2)Br)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC1=CC=C(S1)C(C2=CC=C(S2)Br)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C16H18BrNO2S2/c1-10-4-5-12(21-10)15(13-6-7-14(17)22-13)18-8-2-3-11(9-18)16(19)20/h4-7,11,15H,2-3,8-9H2,1H3,(H,19,20)