ethyl 2-(1H-benzimidazol-2-ylsulfanyl)-2-cyano-ethanoate

Systemtic Name: ethyl 2-(1H-benzimidazol-2-ylsulfanyl)-2-cyano-ethanoate Openeye Name: ethyl 2-(1H-benzimidazol-2-ylsulfanyl)-2-cyano-acetate CAS Name: 2-(1H-benzimidazol-2-ylthio)-2-cyanoacetic acid ethyl ester IUPAC Name: ethyl 2-(1H-benzimidazol-2-ylsulfanyl)-2-cyanoacetate Traditional Name: 2-(1H-benzimidazol-2-ylthio)-2-cyano-acetic acid ethyl ester Formula: C12H11N3O2S MolecularWeight: 261.29964

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)SC1=NC2=CC=CC=C2N1

Isomeric SMILES

CCOC(=O)C(C#N)SC1=NC2=CC=CC=C2N1

InChI

InChI=1S/C12H11N3O2S/c1-2-17-11(16)10(7-13)18-12-14-8-5-3-4-6-9(8)15-12/h3-6,10H,2H2,1H3,(H,14,15)