2-[4-(5-bromanylthiophen-2-yl)butanoylamino]hexanoic acid

Systemtic Name: 2-[4-(5-bromanylthiophen-2-yl)butanoylamino]hexanoic acid Openeye Name: 2-[4-(5-bromo-2-thienyl)butanoylamino]hexanoic acid CAS Name: 2-[[4-(5-bromo-2-thiophenyl)-1-oxobutyl]amino]hexanoic acid IUPAC Name: 2-[4-(5-bromothiophen-2-yl)butanoylamino]hexanoic acid Traditional Name: 2-[4-(5-bromo-2-thienyl)butanoylamino]hexanoic acid Formula: C14H20BrNO3S MolecularWeight: 362.2825

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC(=O)CCCC1=CC=C(S1)Br

Isomeric SMILES

CCCCC(C(=O)O)NC(=O)CCCC1=CC=C(S1)Br

InChI

InChI=1S/C14H20BrNO3S/c1-2-3-6-11(14(18)19)16-13(17)7-4-5-10-8-9-12(15)20-10/h8-9,11H,2-7H2,1H3,(H,16,17)(H,18,19)