methyl (2S)-N-[(6-chloranylpyridin-3-yl)methyl]-2-cyano-3-(2-methoxyethylamino)-3-oxidanylidene-propanimidothioate

Systemtic Name: methyl (2S)-N-[(6-chloranylpyridin-3-yl)methyl]-2-cyano-3-(2-methoxyethylamino)-3-oxidanylidene-propanimidothioate Openeye Name: methyl (2S)-N-[(6-chloro-3-pyridyl)methyl]-2-cyano-3-(2-methoxyethylamino)-3-oxo-propanimidothioate CAS Name: (2S)-N-[(6-chloro-3-pyridinyl)methyl]-2-cyano-3-(2-methoxyethylamino)-3-oxopropanimidothioic acid methyl ester IUPAC Name: methyl (2S)-N-[(6-chloropyridin-3-yl)methyl]-2-cyano-3-(2-methoxyethylamino)-3-oxopropanimidothioate Traditional Name: (2S)-N-[(6-chloro-3-pyridyl)methyl]-2-cyano-3-keto-3-(2-methoxyethylamino)thiopropionimidic acid methyl ester Formula: C14H17ClN4O2S MolecularWeight: 340.82838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17ClN4O2S/c1-21-6-5-17-13(20)11(7-16)14(22-2)19-9-10-3-4-12(15)18-8-10/h3-4,8,11H,5-6,9H2,1-2H3,(H,17,20)/t11-/m0/s1