ethyl 2-[2-[(5-bromanylpyridin-3-yl)carbonylamino]ethanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: ethyl 2-[2-[(5-bromanylpyridin-3-yl)carbonylamino]ethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: ethyl 2-[[2-[(5-bromopyridine-3-carbonyl)amino]acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[2-[[(5-bromo-3-pyridinyl)-oxomethyl]amino]-1-oxoethyl]amino]-4-(methylthio)butanoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(5-bromopyridine-3-carbonyl)amino]acetyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[2-[(5-bromonicotinoyl)amino]acetyl]amino]-4-(methylthio)butyric acid ethyl ester Formula: C15H20BrN3O4S MolecularWeight: 418.306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCSC)NC(=O)CNC(=O)C1=CC(=CN=C1)Br

Isomeric SMILES

CCOC(=O)C(CCSC)NC(=O)CNC(=O)C1=CC(=CN=C1)Br

InChI

InChI=1S/C15H20BrN3O4S/c1-3-23-15(22)12(4-5-24-2)19-13(20)9-18-14(21)10-6-11(16)8-17-7-10/h6-8,12H,3-5,9H2,1-2H3,(H,18,21)(H,19,20)