ethyl (2S)-2-cyano-3-(3-phenylsulfanylpropylimino)propanoate

Systemtic Name: ethyl (2S)-2-cyano-3-(3-phenylsulfanylpropylimino)propanoate Openeye Name: ethyl (2S)-2-cyano-3-(3-phenylsulfanylpropylimino)propanoate CAS Name: (2S)-2-cyano-3-[3-(phenylthio)propylimino]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-cyano-3-(3-phenylsulfanylpropylimino)propanoate Traditional Name: (2S)-2-cyano-3-[3-(phenylthio)propylimino]propionic acid ethyl ester Formula: C15H18N2O2S MolecularWeight: 290.38062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C=NCCCSC1=CC=CC=C1)C#N

Isomeric SMILES

CCOC(=O)[C@@H](C=NCCCSC1=CC=CC=C1)C#N

InChI

InChI=1S/C15H18N2O2S/c1-2-19-15(18)13(11-16)12-17-9-6-10-20-14-7-4-3-5-8-14/h3-5,7-8,12-13H,2,6,9-10H2,1H3/t13-/m1/s1