3-[4-(5-bromanylthiophen-2-yl)butanoylamino]propanoic acid

Systemtic Name: 3-[4-(5-bromanylthiophen-2-yl)butanoylamino]propanoic acid Openeye Name: 3-[4-(5-bromo-2-thienyl)butanoylamino]propanoic acid CAS Name: 3-[[4-(5-bromo-2-thiophenyl)-1-oxobutyl]amino]propanoic acid IUPAC Name: 3-[4-(5-bromothiophen-2-yl)butanoylamino]propanoic acid Traditional Name: 3-[4-(5-bromo-2-thienyl)butanoylamino]propionic acid Formula: C11H14BrNO3S MolecularWeight: 320.20276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14BrNO3S/c12-9-5-4-8(17-9)2-1-3-10(14)13-7-6-11(15)16/h4-5H,1-3,6-7H2,(H,13,14)(H,15,16)