2-[4-[(5-ethylthiophen-2-yl)methyl]piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[(5-ethylthiophen-2-yl)methyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[(5-ethyl-2-thienyl)methyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[(5-ethyl-2-thiophenyl)methyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[(5-ethylthiophen-2-yl)methyl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-[(5-ethyl-2-thienyl)methyl]piperazino]acetic acid Formula: C13H20N2O2S MolecularWeight: 268.3751

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)CN2CCN(CC2)CC(=O)O

Isomeric SMILES

CCC1=CC=C(S1)CN2CCN(CC2)CC(=O)O

InChI

InChI=1S/C13H20N2O2S/c1-2-11-3-4-12(18-11)9-14-5-7-15(8-6-14)10-13(16)17/h3-4H,2,5-10H2,1H3,(H,16,17)