[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] (E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoate

Systemtic Name: [2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] (E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoate Openeye Name: [2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl] (E)-3-(2-bromo-4-methyl-phenyl)prop-2-enoate CAS Name: (E)-3-(2-bromo-4-methylphenyl)-2-propenoic acid [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] (E)-3-(2-bromo-4-methylphenyl)prop-2-enoate Traditional Name: (E)-3-(2-bromo-4-methyl-phenyl)acrylic acid [2-keto-2-[[(1S)-1-methylpropyl]amino]ethyl] ester Formula: C16H20BrNO3 MolecularWeight: 354.2389

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC(=O)C=CC1=C(C=C(C=C1)C)Br

Isomeric SMILES

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

InChI

InChI=1S/C16H20BrNO3/c1-4-12(3)18-15(19)10-21-16(20)8-7-13-6-5-11(2)9-14(13)17/h5-9,12H,4,10H2,1-3H3,(H,18,19)/b8-7+/t12-/m0/s1