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

Systemtic Name: [(2S)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoate Openeye Name: [(1S)-2-(tert-butylcarbamoylamino)-1-methyl-2-oxo-ethyl] (E)-3-(2-bromo-4-methyl-phenyl)prop-2-enoate CAS Name: (E)-3-(2-bromo-4-methylphenyl)-2-propenoic acid [(2S)-1-[[(tert-butylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] (E)-3-(2-bromo-4-methylphenyl)prop-2-enoate Traditional Name: (E)-3-(2-bromo-4-methyl-phenyl)acrylic acid [(1S)-2-(tert-butylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H23BrN2O4 MolecularWeight: 411.29022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23BrN2O4/c1-11-6-7-13(14(19)10-11)8-9-15(22)25-12(2)16(23)20-17(24)21-18(3,4)5/h6-10,12H,1-5H3,(H2,20,21,23,24)/b9-8+/t12-/m0/s1