[(2S)-1-[(2-bromanyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(2-methylphenyl)prop-2-enoate

Systemtic Name: [(2S)-1-[(2-bromanyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(2-methylphenyl)prop-2-enoate Openeye Name: [(1S)-2-(2-bromo-4-methyl-anilino)-1-methyl-2-oxo-ethyl] (E)-3-(o-tolyl)prop-2-enoate CAS Name: (E)-3-(2-methylphenyl)-2-propenoic acid [(2S)-1-(2-bromo-4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-bromo-4-methylanilino)-1-oxopropan-2-yl] (E)-3-(2-methylphenyl)prop-2-enoate Traditional Name: (E)-3-(o-tolyl)acrylic acid [(1S)-2-(2-bromo-4-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C20H20BrNO3 MolecularWeight: 402.2817

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)OC(=O)C=CC2=CC=CC=C2C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@H](C)OC(=O)/C=C/C2=CC=CC=C2C)Br

InChI

InChI=1S/C20H20BrNO3/c1-13-8-10-18(17(21)12-13)22-20(24)15(3)25-19(23)11-9-16-7-5-4-6-14(16)2/h4-12,15H,1-3H3,(H,22,24)/b11-9+/t15-/m0/s1