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

Systemtic Name: [(2S)-1-[(4-fluorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 4-bromanyl-1H-pyrrole-2-carboxylate Openeye Name: [(1S)-2-[(4-fluorophenyl)methylamino]-1-methyl-2-oxo-ethyl] 4-bromo-1H-pyrrole-2-carboxylate CAS Name: 4-bromo-1H-pyrrole-2-carboxylic acid [(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 4-bromo-1H-pyrrole-2-carboxylate Traditional Name: 4-bromo-1H-pyrrole-2-carboxylic acid [(1S)-2-[(4-fluorobenzyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C15H14BrFN2O3 MolecularWeight: 369.185663

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)F)OC(=O)C2=CC(=CN2)Br

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=C(C=C1)F)OC(=O)C2=CC(=CN2)Br

InChI

InChI=1S/C15H14BrFN2O3/c1-9(22-15(21)13-6-11(16)8-18-13)14(20)19-7-10-2-4-12(17)5-3-10/h2-6,8-9,18H,7H2,1H3,(H,19,20)/t9-/m0/s1