[2-oxidanylidene-2-[[(2S)-pentan-2-yl]amino]ethyl] 4-bromanyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-pentan-2-yl]amino]ethyl] 4-bromanyl-1H-pyrrole-2-carboxylate Openeye Name: [2-[[(1S)-1-methylbutyl]amino]-2-oxo-ethyl] 4-bromo-1H-pyrrole-2-carboxylate CAS Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 4-bromo-1H-pyrrole-2-carboxylate Traditional Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-keto-2-[[(1S)-1-methylbutyl]amino]ethyl] ester Formula: C12H17BrN2O3 MolecularWeight: 317.17898

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)COC(=O)C1=CC(=CN1)Br

Isomeric SMILES

CCC[C@H](C)NC(=O)COC(=O)C1=CC(=CN1)Br

InChI

InChI=1S/C12H17BrN2O3/c1-3-4-8(2)15-11(16)7-18-12(17)10-5-9(13)6-14-10/h5-6,8,14H,3-4,7H2,1-2H3,(H,15,16)/t8-/m0/s1