[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate

Systemtic Name: [(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate Openeye Name: [(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-ethoxyphenyl)-2-propenoic acid [(2S)-1-(ethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylamino)-1-oxopropan-2-yl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-p-phenetyl-acrylic acid [(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H20N2O4 MolecularWeight: 316.3517

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)OC(=O)C(=CC1=CC=C(C=C1)OCC)C#N

Isomeric SMILES

CCNC(=O)[C@H](C)OC(=O)/C(=C/C1=CC=C(C=C1)OCC)/C#N

InChI

InChI=1S/C17H20N2O4/c1-4-19-16(20)12(3)23-17(21)14(11-18)10-13-6-8-15(9-7-13)22-5-2/h6-10,12H,4-5H2,1-3H3,(H,19,20)/b14-10+/t12-/m0/s1