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

Systemtic Name: 4-[4-(5-bromanylthiophen-2-yl)butanoylamino]butanoic acid Openeye Name: 4-[4-(5-bromo-2-thienyl)butanoylamino]butanoic acid CAS Name: 4-[[4-(5-bromo-2-thiophenyl)-1-oxobutyl]amino]butanoic acid IUPAC Name: 4-[4-(5-bromothiophen-2-yl)butanoylamino]butanoic acid Traditional Name: 4-[4-(5-bromo-2-thienyl)butanoylamino]butyric acid Formula: C12H16BrNO3S MolecularWeight: 334.22934

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC(=C1)Br)CCCC(=O)NCCCC(=O)O

Isomeric SMILES

C1=C(SC(=C1)Br)CCCC(=O)NCCCC(=O)O

InChI

InChI=1S/C12H16BrNO3S/c13-10-7-6-9(18-10)3-1-4-11(15)14-8-2-5-12(16)17/h6-7H,1-5,8H2,(H,14,15)(H,16,17)