ethyl (2S)-2-cyano-3-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylimino]propanoate

Systemtic Name: ethyl (2S)-2-cyano-3-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylimino]propanoate Openeye Name: ethyl (2S)-2-cyano-3-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylimino]propanoate CAS Name: (2S)-2-cyano-3-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylimino]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-cyano-3-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylimino]propanoate Traditional Name: (2S)-2-cyano-3-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylimino]propionic acid ethyl ester Formula: C15H16N2O4 MolecularWeight: 288.29854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C=NCC1COC2=CC=CC=C2O1)C#N

Isomeric SMILES

CCOC(=O)[C@@H](C=NC[C@H]1COC2=CC=CC=C2O1)C#N

InChI

InChI=1S/C15H16N2O4/c1-2-19-15(18)11(7-16)8-17-9-12-10-20-13-5-3-4-6-14(13)21-12/h3-6,8,11-12H,2,9-10H2,1H3/t11-,12+/m1/s1