(2S)-2-[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(4-bromo-1H-pyrrol-2-yl)-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-4-(methylthio)butyrate Formula: C10H12BrN2O3S- MolecularWeight: 320.18288

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC(=O)C1=CC(=CN1)Br

Isomeric SMILES

CSCC[C@@H](C(=O)[O-])NC(=O)C1=CC(=CN1)Br

InChI

InChI=1S/C10H13BrN2O3S/c1-17-3-2-7(10(15)16)13-9(14)8-4-6(11)5-12-8/h4-5,7,12H,2-3H2,1H3,(H,13,14)(H,15,16)/p-1/t7-/m0/s1