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

Systemtic Name: [(2S)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] (E)-3-(3-bromophenyl)prop-2-enoate Openeye Name: [(1S)-2-(isopropylcarbamoylamino)-1-methyl-2-oxo-ethyl] (E)-3-(3-bromophenyl)prop-2-enoate CAS Name: (E)-3-(3-bromophenyl)-2-propenoic acid [(2S)-1-oxo-1-[[oxo-(propan-2-ylamino)methyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] (E)-3-(3-bromophenyl)prop-2-enoate Traditional Name: (E)-3-(3-bromophenyl)acrylic acid [(1S)-2-(isopropylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H19BrN2O4 MolecularWeight: 383.23706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19BrN2O4/c1-10(2)18-16(22)19-15(21)11(3)23-14(20)8-7-12-5-4-6-13(17)9-12/h4-11H,1-3H3,(H2,18,19,21,22)/b8-7+/t11-/m0/s1