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

Systemtic Name: methyl (2S)-N-[(6-chloranylpyridin-3-yl)methyl]-2-cyano-3-(3-methoxypropylamino)-3-oxidanylidene-propanimidothioate Openeye Name: methyl (2S)-N-[(6-chloro-3-pyridyl)methyl]-2-cyano-3-(3-methoxypropylamino)-3-oxo-propanimidothioate CAS Name: (2S)-N-[(6-chloro-3-pyridinyl)methyl]-2-cyano-3-(3-methoxypropylamino)-3-oxopropanimidothioic acid methyl ester IUPAC Name: methyl (2S)-N-[(6-chloropyridin-3-yl)methyl]-2-cyano-3-(3-methoxypropylamino)-3-oxopropanimidothioate Traditional Name: (2S)-N-[(6-chloro-3-pyridyl)methyl]-2-cyano-3-keto-3-(3-methoxypropylamino)thiopropionimidic acid methyl ester Formula: C15H19ClN4O2S MolecularWeight: 354.85496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19ClN4O2S/c1-22-7-3-6-18-14(21)12(8-17)15(23-2)20-10-11-4-5-13(16)19-9-11/h4-5,9,12H,3,6-7,10H2,1-2H3,(H,18,21)/t12-/m0/s1