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

Systemtic Name: [(2S)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] (E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoate Openeye Name: [(1S)-2-(allylamino)-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-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(prop-2-enylamino)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-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H18BrNO4 MolecularWeight: 368.22242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18BrNO4/c1-4-9-18-16(20)11(2)22-15(19)8-5-12-10-13(17)6-7-14(12)21-3/h4-8,10-11H,1,9H2,2-3H3,(H,18,20)/b8-5+/t11-/m0/s1