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

Systemtic Name: [(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] (E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoate Openeye Name: [(1S)-2-(isopropylamino)-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-(propan-2-ylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propan-2-ylamino)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-(isopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H20BrNO4 MolecularWeight: 370.2383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20BrNO4/c1-10(2)18-16(20)11(3)22-15(19)8-5-12-9-13(17)6-7-14(12)21-4/h5-11H,1-4H3,(H,18,20)/b8-5+/t11-/m0/s1