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

Systemtic Name: 2-[(5-bromanylthiophen-2-yl)methylcarbamoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(5-bromo-2-thienyl)methylcarbamoylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[(5-bromo-2-thiophenyl)methylamino]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(5-bromothiophen-2-yl)methylcarbamoylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(5-bromo-2-thienyl)methylcarbamoylamino]-4-(methylthio)butyric acid Formula: C11H15BrN2O3S2 MolecularWeight: 367.2824

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)NCC1=CC=C(S1)Br

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)NCC1=CC=C(S1)Br

InChI

InChI=1S/C11H15BrN2O3S2/c1-18-5-4-8(10(15)16)14-11(17)13-6-7-2-3-9(12)19-7/h2-3,8H,4-6H2,1H3,(H,15,16)(H2,13,14,17)