2-[2-(5-bromanyl-2-oxidanylidene-pyridin-1-yl)ethanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[2-(5-bromanyl-2-oxidanylidene-pyridin-1-yl)ethanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[2-(5-bromo-2-oxo-1-pyridyl)acetyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-(5-bromo-2-oxo-1-pyridinyl)-1-oxoethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(5-bromo-2-oxopyridin-1-yl)acetyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-(5-bromo-2-keto-1-pyridyl)acetyl]amino]-4-(methylthio)butyric acid Formula: C12H15BrN2O4S MolecularWeight: 363.2275

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)CN1C=C(C=CC1=O)Br

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)CN1C=C(C=CC1=O)Br

InChI

InChI=1S/C12H15BrN2O4S/c1-20-5-4-9(12(18)19)14-10(16)7-15-6-8(13)2-3-11(15)17/h2-3,6,9H,4-5,7H2,1H3,(H,14,16)(H,18,19)