2-[(4-cyano-1-oxidanylidene-2,5-dihydropyrido[1,2-a]benzimidazol-10-ium-3-yl)methylsulfanyl]ethanoate

Systemtic Name: 2-[(4-cyano-1-oxidanylidene-2,5-dihydropyrido[1,2-a]benzimidazol-10-ium-3-yl)methylsulfanyl]ethanoate Openeye Name: 2-[(4-cyano-1-oxo-2,5-dihydropyrido[1,2-a]benzimidazol-10-ium-3-yl)methylsulfanyl]acetate CAS Name: 2-[(4-cyano-1-oxo-2,5-dihydropyrido[1,2-a]benzimidazol-10-ium-3-yl)methylthio]acetate IUPAC Name: 2-[(4-cyano-1-oxo-2,5-dihydropyrido[1,2-a]benzimidazol-10-ium-3-yl)methylsulfanyl]acetate Traditional Name: 2-[(4-cyano-1-keto-2,5-dihydropyrido[1,2-a]benzimidazol-10-ium-3-yl)methylthio]acetate Formula: C15H11N3O3S MolecularWeight: 313.33114

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(C2=[N+](C1=O)C3=CC=CC=C3N2)C#N)CSCC(=O)[O-]

Isomeric SMILES

C1C(=C(C2=[N+](C1=O)C3=CC=CC=C3N2)C#N)CSCC(=O)[O-]

InChI

InChI=1S/C15H11N3O3S/c16-6-10-9(7-22-8-14(20)21)5-13(19)18-12-4-2-1-3-11(12)17-15(10)18/h1-4H,5,7-8H2,(H,20,21)