[(2S)-1-ethoxy-1-oxidanylidene-propan-2-yl] (2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-cyano-propanoate

Systemtic Name: [(2S)-1-ethoxy-1-oxidanylidene-propan-2-yl] (2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-cyano-propanoate Openeye Name: [(1S)-2-ethoxy-1-methyl-2-oxo-ethyl] (2S)-2-cyano-2-(1,3-dioxoisoindolin-2-yl)propanoate CAS Name: (2S)-2-cyano-2-(1,3-dioxo-2-isoindolyl)propanoic acid [(2S)-1-ethoxy-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-ethoxy-1-oxopropan-2-yl] (2S)-2-cyano-2-(1,3-dioxoisoindol-2-yl)propanoate Traditional Name: (2S)-2-cyano-2-phthalimido-propionic acid [(1S)-2-ethoxy-2-keto-1-methyl-ethyl] ester Formula: C17H16N2O6 MolecularWeight: 344.31874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)OC(=O)C(C)(C#N)N1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

CCOC(=O)[C@H](C)OC(=O)[C@](C)(C#N)N1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C17H16N2O6/c1-4-24-15(22)10(2)25-16(23)17(3,9-18)19-13(20)11-7-5-6-8-12(11)14(19)21/h5-8,10H,4H2,1-3H3/t10-,17-/m0/s1