2-[4-[4-(5-bromanylthiophen-2-yl)butanoyl]piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[4-(5-bromanylthiophen-2-yl)butanoyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[4-(5-bromo-2-thienyl)butanoyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[4-(5-bromo-2-thiophenyl)-1-oxobutyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[4-(5-bromothiophen-2-yl)butanoyl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-[4-(5-bromo-2-thienyl)butanoyl]piperazino]acetic acid Formula: C14H19BrN2O3S MolecularWeight: 375.28126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)O)C(=O)CCCC2=CC=C(S2)Br

Isomeric SMILES

C1CN(CCN1CC(=O)O)C(=O)CCCC2=CC=C(S2)Br

InChI

InChI=1S/C14H19BrN2O3S/c15-12-5-4-11(21-12)2-1-3-13(18)17-8-6-16(7-9-17)10-14(19)20/h4-5H,1-3,6-10H2,(H,19,20)