ethyl N-[(2S)-2-cyano-3-[(1S)-2-oxidanyl-1-phenyl-ethyl]imino-propanoyl]carbamate

Systemtic Name: ethyl N-[(2S)-2-cyano-3-[(1S)-2-oxidanyl-1-phenyl-ethyl]imino-propanoyl]carbamate Openeye Name: ethyl N-[(2S)-2-cyano-3-[(1S)-2-hydroxy-1-phenyl-ethyl]imino-propanoyl]carbamate CAS Name: N-[(2S)-2-cyano-3-[(1S)-2-hydroxy-1-phenylethyl]imino-1-oxopropyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[(2S)-2-cyano-3-[(1S)-2-hydroxy-1-phenylethyl]iminopropanoyl]carbamate Traditional Name: N-[(2S)-2-cyano-3-[(1S)-2-hydroxy-1-phenyl-ethyl]imino-propanoyl]carbamic acid ethyl ester Formula: C15H17N3O4 MolecularWeight: 303.31318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=O)C(C=NC(CO)C1=CC=CC=C1)C#N

Isomeric SMILES

CCOC(=O)NC(=O)[C@@H](C=N[C@H](CO)C1=CC=CC=C1)C#N

InChI

InChI=1S/C15H17N3O4/c1-2-22-15(21)18-14(20)12(8-16)9-17-13(10-19)11-6-4-3-5-7-11/h3-7,9,12-13,19H,2,10H2,1H3,(H,18,20,21)/t12-,13-/m1/s1