[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(3-bromophenyl)prop-2-enoate

Systemtic Name: [(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(3-bromophenyl)prop-2-enoate Openeye Name: [(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl] (E)-3-(3-bromophenyl)prop-2-enoate CAS Name: (E)-3-(3-bromophenyl)-2-propenoic acid [(2S)-1-(ethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylamino)-1-oxopropan-2-yl] (E)-3-(3-bromophenyl)prop-2-enoate Traditional Name: (E)-3-(3-bromophenyl)acrylic acid [(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl] ester Formula: C14H16BrNO3 MolecularWeight: 326.18574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16BrNO3/c1-3-16-14(18)10(2)19-13(17)8-7-11-5-4-6-12(15)9-11/h4-10H,3H2,1-2H3,(H,16,18)/b8-7+/t10-/m0/s1