ethyl (2R)-2-cyano-3-[2-(1-methylimidazol-2-yl)sulfanylethylimino]propanoate

Systemtic Name: ethyl (2R)-2-cyano-3-[2-(1-methylimidazol-2-yl)sulfanylethylimino]propanoate Openeye Name: ethyl (2R)-2-cyano-3-[2-(1-methylimidazol-2-yl)sulfanylethylimino]propanoate CAS Name: (2R)-2-cyano-3-[2-[(1-methyl-2-imidazolyl)thio]ethylimino]propanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-cyano-3-[2-(1-methylimidazol-2-yl)sulfanylethylimino]propanoate Traditional Name: (2R)-2-cyano-3-[2-[(1-methylimidazol-2-yl)thio]ethylimino]propionic acid ethyl ester Formula: C12H16N4O2S MolecularWeight: 280.34604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C=NCCSC1=NC=CN1C)C#N

Isomeric SMILES

CCOC(=O)[C@H](C=NCCSC1=NC=CN1C)C#N

InChI

InChI=1S/C12H16N4O2S/c1-3-18-11(17)10(8-13)9-14-5-7-19-12-15-4-6-16(12)2/h4,6,9-10H,3,5,7H2,1-2H3/t10-/m0/s1