[2-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] 2-(6-ethyl-1-benzofuran-3-yl)ethanoate

Systemtic Name: [2-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] 2-(6-ethyl-1-benzofuran-3-yl)ethanoate Openeye Name: [2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl] 2-(6-ethylbenzofuran-3-yl)acetate CAS Name: 2-(6-ethyl-3-benzofuranyl)acetic acid [2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate Traditional Name: 2-(6-ethylbenzofuran-3-yl)acetic acid [2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethyl] ester Formula: C20H24N2O4 MolecularWeight: 356.41556

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CO2)CC(=O)OCC(=O)NC(C)(C#N)C(C)C

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CO2)CC(=O)OCC(=O)N[C@](C)(C#N)C(C)C

InChI

InChI=1S/C20H24N2O4/c1-5-14-6-7-16-15(10-25-17(16)8-14)9-19(24)26-11-18(23)22-20(4,12-21)13(2)3/h6-8,10,13H,5,9,11H2,1-4H3,(H,22,23)/t20-/m1/s1