[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] (E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoate

Systemtic Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] (E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoate Openeye Name: [2-[[(1S)-1-methylpropyl]carbamoylamino]-2-oxo-ethyl] (E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-methoxyphenyl)-2-propenoic acid [2-[[[[(2S)-butan-2-yl]amino]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] (E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-methoxy-phenyl)acrylic acid [2-keto-2-[[(1S)-1-methylpropyl]carbamoylamino]ethyl] ester Formula: C17H21BrN2O5 MolecularWeight: 413.26304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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