ethyl (5S)-5-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-2-methyl-5-oxidanyl-4-oxidanylidene-1-(phenylmethyl)pyrrole-3-carboxylate

Systemtic Name: ethyl (5S)-5-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-2-methyl-5-oxidanyl-4-oxidanylidene-1-(phenylmethyl)pyrrole-3-carboxylate Openeye Name: ethyl (5S)-1-benzyl-5-[2-(4-bromophenyl)-2-oxo-ethyl]-5-hydroxy-2-methyl-4-oxo-pyrrole-3-carboxylate CAS Name: (5S)-5-[2-(4-bromophenyl)-2-oxoethyl]-5-hydroxy-2-methyl-4-oxo-1-(phenylmethyl)-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl (5S)-1-benzyl-5-[2-(4-bromophenyl)-2-oxoethyl]-5-hydroxy-2-methyl-4-oxopyrrole-3-carboxylate Traditional Name: (5S)-1-benzyl-5-[2-(4-bromophenyl)-2-keto-ethyl]-5-hydroxy-4-keto-2-methyl-2-pyrroline-3-carboxylic acid ethyl ester Formula: C23H22BrNO5 MolecularWeight: 472.32848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(C1=O)(CC(=O)C2=CC=C(C=C2)Br)O)CC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N([C@@](C1=O)(CC(=O)C2=CC=C(C=C2)Br)O)CC3=CC=CC=C3)C

InChI

InChI=1S/C23H22BrNO5/c1-3-30-22(28)20-15(2)25(14-16-7-5-4-6-8-16)23(29,21(20)27)13-19(26)17-9-11-18(24)12-10-17/h4-12,29H,3,13-14H2,1-2H3/t23-/m0/s1