[(2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] (E)-3-(2-bromophenyl)prop-2-enoate

Systemtic Name: [(2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] (E)-3-(2-bromophenyl)prop-2-enoate Openeye Name: [(1S)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl] (E)-3-(2-bromophenyl)prop-2-enoate CAS Name: (E)-3-(2-bromophenyl)-2-propenoic acid [(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] (E)-3-(2-bromophenyl)prop-2-enoate Traditional Name: (E)-3-(2-bromophenyl)acrylic acid [(1S)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C20H20BrNO4 MolecularWeight: 418.2811

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)C(C)OC(=O)C=CC2=CC=CC=C2Br

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)[C@H](C)OC(=O)/C=C/C2=CC=CC=C2Br

InChI

InChI=1S/C20H20BrNO4/c1-11-18(13(3)23)12(2)22-19(11)20(25)14(4)26-17(24)10-9-15-7-5-6-8-16(15)21/h5-10,14,22H,1-4H3/b10-9+/t14-/m0/s1