ethyl (2S,3S)-3-(3-bromanylpropanoyloxy)-3-phenyl-2-(prop-2-enoylamino)propanoate

Systemtic Name: ethyl (2S,3S)-3-(3-bromanylpropanoyloxy)-3-phenyl-2-(prop-2-enoylamino)propanoate Openeye Name: ethyl (2S,3S)-3-(3-bromopropanoyloxy)-3-phenyl-2-(prop-2-enoylamino)propanoate CAS Name: (2S,3S)-3-(3-bromo-1-oxopropoxy)-2-(1-oxoprop-2-enylamino)-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2S,3S)-3-(3-bromopropanoyloxy)-3-phenyl-2-(prop-2-enoylamino)propanoate Traditional Name: (2S,3S)-2-acrylamido-3-(3-bromopropanoyloxy)-3-phenyl-propionic acid ethyl ester Formula: C17H20BrNO5 MolecularWeight: 398.2484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CC=CC=C1)OC(=O)CCBr)NC(=O)C=C

Isomeric SMILES

CCOC(=O)[C@H]([C@H](C1=CC=CC=C1)OC(=O)CCBr)NC(=O)C=C

InChI

InChI=1S/C17H20BrNO5/c1-3-13(20)19-15(17(22)23-4-2)16(24-14(21)10-11-18)12-8-6-5-7-9-12/h3,5-9,15-16H,1,4,10-11H2,2H3,(H,19,20)/t15-,16-/m0/s1