ethyl (2R)-3-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]imino-2-cyano-propanoate

Systemtic Name: ethyl (2R)-3-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]imino-2-cyano-propanoate Openeye Name: ethyl (2R)-3-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]imino-2-cyano-propanoate CAS Name: (2R)-3-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]imino-2-cyanopropanoic acid ethyl ester IUPAC Name: ethyl (2R)-3-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]imino-2-cyanopropanoate Traditional Name: (2R)-3-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]imino-2-cyano-propionic acid ethyl ester Formula: C17H20N4O2S MolecularWeight: 344.4313

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C=NC(CCSC)C1=NC2=CC=CC=C2N1)C#N

Isomeric SMILES

CCOC(=O)[C@H](C=N[C@@H](CCSC)C1=NC2=CC=CC=C2N1)C#N

InChI

InChI=1S/C17H20N4O2S/c1-3-23-17(22)12(10-18)11-19-15(8-9-24-2)16-20-13-6-4-5-7-14(13)21-16/h4-7,11-12,15H,3,8-9H2,1-2H3,(H,20,21)/t12-,15-/m0/s1