[(2S)-1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 4-bromanyl-1H-pyrrole-2-carboxylate

Systemtic Name: [(2S)-1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 4-bromanyl-1H-pyrrole-2-carboxylate Openeye Name: [(1S)-2-(1H-indol-3-yl)-1-methyl-2-oxo-ethyl] 4-bromo-1H-pyrrole-2-carboxylate CAS Name: 4-bromo-1H-pyrrole-2-carboxylic acid [(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 4-bromo-1H-pyrrole-2-carboxylate Traditional Name: 4-bromo-1H-pyrrole-2-carboxylic acid [(1S)-2-(1H-indol-3-yl)-2-keto-1-methyl-ethyl] ester Formula: C16H13BrN2O3 MolecularWeight: 361.19002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CNC2=CC=CC=C21)OC(=O)C3=CC(=CN3)Br

Isomeric SMILES

C[C@@H](C(=O)C1=CNC2=CC=CC=C21)OC(=O)C3=CC(=CN3)Br

InChI

InChI=1S/C16H13BrN2O3/c1-9(22-16(21)14-6-10(17)7-18-14)15(20)12-8-19-13-5-3-2-4-11(12)13/h2-9,18-19H,1H3/t9-/m0/s1