[(2S)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(3-bromophenyl)prop-2-enoate

Systemtic Name: [(2S)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(3-bromophenyl)prop-2-enoate Openeye Name: [(1S)-2-(4-ethylanilino)-1-methyl-2-oxo-ethyl] (E)-3-(3-bromophenyl)prop-2-enoate CAS Name: (E)-3-(3-bromophenyl)-2-propenoic acid [(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] (E)-3-(3-bromophenyl)prop-2-enoate Traditional Name: (E)-3-(3-bromophenyl)acrylic acid [(1S)-2-(4-ethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H20BrNO3 MolecularWeight: 402.2817

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C=CC2=CC(=CC=C2)Br

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](C)OC(=O)/C=C/C2=CC(=CC=C2)Br

InChI

InChI=1S/C20H20BrNO3/c1-3-15-7-10-18(11-8-15)22-20(24)14(2)25-19(23)12-9-16-5-4-6-17(21)13-16/h4-14H,3H2,1-2H3,(H,22,24)/b12-9+/t14-/m0/s1