7-[4-(5-bromanylthiophen-2-yl)butanoylamino]heptanoic acid

Systemtic Name: 7-[4-(5-bromanylthiophen-2-yl)butanoylamino]heptanoic acid Openeye Name: 7-[4-(5-bromo-2-thienyl)butanoylamino]heptanoic acid CAS Name: 7-[[4-(5-bromo-2-thiophenyl)-1-oxobutyl]amino]heptanoic acid IUPAC Name: 7-[4-(5-bromothiophen-2-yl)butanoylamino]heptanoic acid Traditional Name: 7-[4-(5-bromo-2-thienyl)butanoylamino]enanthic acid Formula: C15H22BrNO3S MolecularWeight: 376.30908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22BrNO3S/c16-13-10-9-12(21-13)6-5-7-14(18)17-11-4-2-1-3-8-15(19)20/h9-10H,1-8,11H2,(H,17,18)(H,19,20)