[(E,3S)-1-cyanopent-1-en-3-yl] (2S)-2-acetyloxy-2-phenyl-ethanoate

Systemtic Name: [(E,3S)-1-cyanopent-1-en-3-yl] (2S)-2-acetyloxy-2-phenyl-ethanoate Openeye Name: [(E,1S)-3-cyano-1-ethyl-allyl] (2S)-2-acetoxy-2-phenyl-acetate CAS Name: (2S)-2-acetyloxy-2-phenylacetic acid [(E,3S)-1-cyanopent-1-en-3-yl] ester IUPAC Name: [(E,3S)-1-cyanopent-1-en-3-yl] (2S)-2-acetyloxy-2-phenylacetate Traditional Name: (2S)-2-acetoxy-2-phenyl-acetic acid [(E,1S)-3-cyano-1-ethyl-allyl] ester Formula: C16H17NO4 MolecularWeight: 287.31048

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C=CC#N)OC(=O)C(C1=CC=CC=C1)OC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO4/c1-3-14(10-7-11-17)21-16(19)15(20-12(2)18)13-8-5-4-6-9-13/h4-10,14-15H,3H2,1-2H3/b10-7+/t14-,15-/m0/s1