ethyl (2S)-3-[(6-chloranylpyridin-3-yl)methylimino]-2-cyano-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: ethyl (2S)-3-[(6-chloranylpyridin-3-yl)methylimino]-2-cyano-3-(phenylmethylsulfanyl)propanoate Openeye Name: ethyl (2S)-3-benzylsulfanyl-3-[(6-chloro-3-pyridyl)methylimino]-2-cyano-propanoate CAS Name: (2S)-3-[(6-chloro-3-pyridinyl)methylimino]-2-cyano-3-(phenylmethylthio)propanoic acid ethyl ester IUPAC Name: ethyl (2S)-3-benzylsulfanyl-3-[(6-chloropyridin-3-yl)methylimino]-2-cyanopropanoate Traditional Name: (2S)-3-(benzylthio)-3-[(6-chloro-3-pyridyl)methylimino]-2-cyano-propionic acid ethyl ester Formula: C19H18ClN3O2S MolecularWeight: 387.88312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C(=NCC1=CN=C(C=C1)Cl)SCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)[C@H](C#N)C(=NCC1=CN=C(C=C1)Cl)SCC2=CC=CC=C2

InChI

InChI=1S/C19H18ClN3O2S/c1-2-25-19(24)16(10-21)18(26-13-14-6-4-3-5-7-14)23-12-15-8-9-17(20)22-11-15/h3-9,11,16H,2,12-13H2,1H3/t16-/m1/s1