propyl (2R)-3-[(6-chloranylpyridin-3-yl)methylimino]-2-cyano-3-ethylsulfanyl-propanoate

Systemtic Name: propyl (2R)-3-[(6-chloranylpyridin-3-yl)methylimino]-2-cyano-3-ethylsulfanyl-propanoate Openeye Name: propyl (2R)-3-[(6-chloro-3-pyridyl)methylimino]-2-cyano-3-ethylsulfanyl-propanoate CAS Name: (2R)-3-[(6-chloro-3-pyridinyl)methylimino]-2-cyano-3-(ethylthio)propanoic acid propyl ester IUPAC Name: propyl (2R)-3-[(6-chloropyridin-3-yl)methylimino]-2-cyano-3-ethylsulfanylpropanoate Traditional Name: (2R)-3-[(6-chloro-3-pyridyl)methylimino]-2-cyano-3-(ethylthio)propionic acid propyl ester Formula: C15H18ClN3O2S MolecularWeight: 339.84032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C(C#N)C(=NCC1=CN=C(C=C1)Cl)SCC

Isomeric SMILES

CCCOC(=O)[C@@H](C#N)C(=NCC1=CN=C(C=C1)Cl)SCC

InChI

InChI=1S/C15H18ClN3O2S/c1-3-7-21-15(20)12(8-17)14(22-4-2)19-10-11-5-6-13(16)18-9-11/h5-6,9,12H,3-4,7,10H2,1-2H3/t12-/m0/s1