ethyl N-[(E)-2-cyano-3-[[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]amino]prop-2-enoyl]carbamate

Systemtic Name: ethyl N-[(E)-2-cyano-3-[[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]amino]prop-2-enoyl]carbamate Openeye Name: ethyl N-[(E)-3-[[(1S)-1-benzyl-2-hydroxy-ethyl]amino]-2-cyano-prop-2-enoyl]carbamate CAS Name: N-[(E)-2-cyano-3-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxoprop-2-enyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[(E)-2-cyano-3-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]prop-2-enoyl]carbamate Traditional Name: N-[(E)-3-[[(1S)-1-benzyl-2-hydroxy-ethyl]amino]-2-cyano-acryloyl]carbamic acid ethyl ester Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)NC(=O)/C(=C/N[C@@H](CC1=CC=CC=C1)CO)/C#N

InChI

InChI=1S/C16H19N3O4/c1-2-23-16(22)19-15(21)13(9-17)10-18-14(11-20)8-12-6-4-3-5-7-12/h3-7,10,14,18,20H,2,8,11H2,1H3,(H,19,21,22)/b13-10+/t14-/m0/s1