ethyl (2R)-3-[(6-chloranylpyridin-3-yl)methylimino]-2-cyano-3-propan-2-ylsulfanyl-propanoate

Systemtic Name: ethyl (2R)-3-[(6-chloranylpyridin-3-yl)methylimino]-2-cyano-3-propan-2-ylsulfanyl-propanoate Openeye Name: ethyl (2R)-3-[(6-chloro-3-pyridyl)methylimino]-2-cyano-3-isopropylsulfanyl-propanoate CAS Name: (2R)-3-[(6-chloro-3-pyridinyl)methylimino]-2-cyano-3-(propan-2-ylthio)propanoic acid ethyl ester IUPAC Name: ethyl (2R)-3-[(6-chloropyridin-3-yl)methylimino]-2-cyano-3-propan-2-ylsulfanylpropanoate Traditional Name: (2R)-3-[(6-chloro-3-pyridyl)methylimino]-2-cyano-3-(isopropylthio)propionic acid ethyl ester Formula: C15H18ClN3O2S MolecularWeight: 339.84032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C(=NCC1=CN=C(C=C1)Cl)SC(C)C

Isomeric SMILES

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

InChI

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