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

Systemtic Name: ethyl (2S)-3-[(6-chloranylpyridin-3-yl)methylimino]-2-cyano-3-(2-methylpropylsulfanyl)propanoate Openeye Name: ethyl (2S)-3-[(6-chloro-3-pyridyl)methylimino]-2-cyano-3-isobutylsulfanyl-propanoate CAS Name: (2S)-3-[(6-chloro-3-pyridinyl)methylimino]-2-cyano-3-(2-methylpropylthio)propanoic acid ethyl ester IUPAC Name: ethyl (2S)-3-[(6-chloropyridin-3-yl)methylimino]-2-cyano-3-(2-methylpropylsulfanyl)propanoate Traditional Name: (2S)-3-[(6-chloro-3-pyridyl)methylimino]-2-cyano-3-(isobutylthio)propionic acid ethyl ester Formula: C16H20ClN3O2S MolecularWeight: 353.8669

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20ClN3O2S/c1-4-22-16(21)13(7-18)15(23-10-11(2)3)20-9-12-5-6-14(17)19-8-12/h5-6,8,11,13H,4,9-10H2,1-3H3/t13-/m1/s1