[(2S)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] (E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] (E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoate Openeye Name: [(1S)-2-(isopropylcarbamoylamino)-1-methyl-2-oxo-ethyl] (E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-methoxyphenyl)-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-(5-bromo-2-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-methoxy-phenyl)acrylic acid [(1S)-2-(isopropylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H21BrN2O5 MolecularWeight: 413.26304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21BrN2O5/c1-10(2)19-17(23)20-16(22)11(3)25-15(21)8-5-12-9-13(18)6-7-14(12)24-4/h5-11H,1-4H3,(H2,19,20,22,23)/b8-5+/t11-/m0/s1