[2-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] (E)-pent-2-enoate

Systemtic Name: [2-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] (E)-pent-2-enoate Openeye Name: [2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl] (E)-pent-2-enoate CAS Name: (E)-2-pentenoic 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] (E)-pent-2-enoate Traditional Name: (E)-pent-2-enoic acid [2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethyl] ester Formula: C13H20N2O3 MolecularWeight: 252.3095

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CC(=O)OCC(=O)NC(C)(C#N)C(C)C

Isomeric SMILES

CC/C=C/C(=O)OCC(=O)N[C@](C)(C#N)C(C)C

InChI

InChI=1S/C13H20N2O3/c1-5-6-7-12(17)18-8-11(16)15-13(4,9-14)10(2)3/h6-7,10H,5,8H2,1-4H3,(H,15,16)/b7-6+/t13-/m1/s1