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

Systemtic Name: ethyl 3-[(6-chloranylpyridin-3-yl)methylimino]-2-cyano-3-pentylsulfanyl-propanoate Openeye Name: ethyl 3-[(6-chloro-3-pyridyl)methylimino]-2-cyano-3-pentylsulfanyl-propanoate CAS Name: 3-[(6-chloro-3-pyridinyl)methylimino]-2-cyano-3-(pentylthio)propanoic acid ethyl ester IUPAC Name: ethyl 3-[(6-chloropyridin-3-yl)methylimino]-2-cyano-3-pentylsulfanylpropanoate Traditional Name: 3-(amylthio)-3-[(6-chloro-3-pyridyl)methylimino]-2-cyano-propionic acid ethyl ester Formula: C17H22ClN3O2S MolecularWeight: 367.89348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC(=NCC1=CN=C(C=C1)Cl)C(C#N)C(=O)OCC

Isomeric SMILES

CCCCCSC(=NCC1=CN=C(C=C1)Cl)C(C#N)C(=O)OCC

InChI

InChI=1S/C17H22ClN3O2S/c1-3-5-6-9-24-16(14(10-19)17(22)23-4-2)21-12-13-7-8-15(18)20-11-13/h7-8,11,14H,3-6,9,12H2,1-2H3