ethyl (2S)-2-cyano-3-[(2S)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]imino-propanoate

Systemtic Name: ethyl (2S)-2-cyano-3-[(2S)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]imino-propanoate Openeye Name: ethyl (2S)-3-[(1S)-1-benzyl-2-methoxy-2-oxo-ethyl]imino-2-cyano-propanoate CAS Name: (2S)-2-cyano-3-[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]iminopropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-cyano-3-[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]iminopropanoate Traditional Name: (2S)-3-[(1S)-1-benzyl-2-keto-2-methoxy-ethyl]imino-2-cyano-propionic acid ethyl ester Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C=NC(CC1=CC=CC=C1)C(=O)OC)C#N

Isomeric SMILES

CCOC(=O)[C@@H](C=N[C@@H](CC1=CC=CC=C1)C(=O)OC)C#N

InChI

InChI=1S/C16H18N2O4/c1-3-22-15(19)13(10-17)11-18-14(16(20)21-2)9-12-7-5-4-6-8-12/h4-8,11,13-14H,3,9H2,1-2H3/t13-,14+/m1/s1