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

Systemtic Name: 2-[4-(5-bromanylthiophen-2-yl)butanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[4-(5-bromo-2-thienyl)butanoylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[4-(5-bromo-2-thiophenyl)-1-oxobutyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[4-(5-bromothiophen-2-yl)butanoylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[4-(5-bromo-2-thienyl)butanoylamino]-4-(methylthio)butyric acid Formula: C13H18BrNO3S2 MolecularWeight: 380.32092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18BrNO3S2/c1-19-8-7-10(13(17)18)15-12(16)4-2-3-9-5-6-11(14)20-9/h5-6,10H,2-4,7-8H2,1H3,(H,15,16)(H,17,18)