[(2S)-1-oxidanylidene-1-(phenethylamino)propan-2-yl] (E)-3-(2-bromophenyl)prop-2-enoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(phenethylamino)propan-2-yl] (E)-3-(2-bromophenyl)prop-2-enoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(phenethylamino)ethyl] (E)-3-(2-bromophenyl)prop-2-enoate CAS Name: (E)-3-(2-bromophenyl)-2-propenoic acid [(2S)-1-oxo-1-(phenethylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(phenethylamino)propan-2-yl] (E)-3-(2-bromophenyl)prop-2-enoate Traditional Name: (E)-3-(2-bromophenyl)acrylic acid [(1S)-2-keto-1-methyl-2-(phenethylamino)ethyl] ester Formula: C20H20BrNO3 MolecularWeight: 402.2817

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)C=CC2=CC=CC=C2Br

Isomeric SMILES

C[C@@H](C(=O)NCCC1=CC=CC=C1)OC(=O)/C=C/C2=CC=CC=C2Br

InChI

InChI=1S/C20H20BrNO3/c1-15(20(24)22-14-13-16-7-3-2-4-8-16)25-19(23)12-11-17-9-5-6-10-18(17)21/h2-12,15H,13-14H2,1H3,(H,22,24)/b12-11+/t15-/m0/s1