ethyl (2S)-2-cyano-3-[(2S)-2-cyano-3-methyl-butan-2-yl]imino-propanoate

Systemtic Name: ethyl (2S)-2-cyano-3-[(2S)-2-cyano-3-methyl-butan-2-yl]imino-propanoate Openeye Name: ethyl (2S)-2-cyano-3-[(1S)-1-cyano-1,2-dimethyl-propyl]imino-propanoate CAS Name: (2S)-2-cyano-3-[(2S)-2-cyano-3-methylbutan-2-yl]iminopropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-cyano-3-[(2S)-2-cyano-3-methylbutan-2-yl]iminopropanoate Traditional Name: (2S)-2-cyano-3-[(1S)-1-cyano-1,2-dimethyl-propyl]imino-propionic acid ethyl ester Formula: C12H17N3O2 MolecularWeight: 235.28228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C=NC(C)(C#N)C(C)C)C#N

Isomeric SMILES

CCOC(=O)[C@@H](C=N[C@](C)(C#N)C(C)C)C#N

InChI

InChI=1S/C12H17N3O2/c1-5-17-11(16)10(6-13)7-15-12(4,8-14)9(2)3/h7,9-10H,5H2,1-4H3/t10-,12-/m1/s1