2-[(4-bromanyl-1-ethyl-pyrrol-2-yl)carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[(4-bromanyl-1-ethyl-pyrrol-2-yl)carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(4-bromo-1-ethyl-pyrrole-2-carbonyl)amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[(4-bromo-1-ethyl-2-pyrrolyl)-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(4-bromo-1-ethylpyrrole-2-carbonyl)amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(4-bromo-1-ethyl-pyrrole-2-carbonyl)amino]-4-(methylthio)butyric acid Formula: C12H17BrN2O3S MolecularWeight: 349.24398

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=C1C(=O)NC(CCSC)C(=O)O)Br

Isomeric SMILES

CCN1C=C(C=C1C(=O)NC(CCSC)C(=O)O)Br

InChI

InChI=1S/C12H17BrN2O3S/c1-3-15-7-8(13)6-10(15)11(16)14-9(12(17)18)4-5-19-2/h6-7,9H,3-5H2,1-2H3,(H,14,16)(H,17,18)