2-[(4-cyano-1-oxidanylidene-5H-pyrido[1,2-a]benzimidazol-3-yl)methylsulfanyl]propanoic acid

Systemtic Name: 2-[(4-cyano-1-oxidanylidene-5H-pyrido[1,2-a]benzimidazol-3-yl)methylsulfanyl]propanoic acid Openeye Name: 2-[(4-cyano-1-oxo-5H-pyrido[1,2-a]benzimidazol-3-yl)methylsulfanyl]propanoic acid CAS Name: 2-[(4-cyano-1-oxo-5H-pyrido[1,2-a]benzimidazol-3-yl)methylthio]propanoic acid IUPAC Name: 2-[(4-cyano-1-oxo-5H-pyrido[1,2-a]benzimidazol-3-yl)methylsulfanyl]propanoic acid Traditional Name: 2-[(4-cyano-1-keto-5H-pyrido[1,2-a]benzimidazol-3-yl)methylthio]propionic acid Formula: C16H13N3O3S MolecularWeight: 327.35772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC1=CC(=O)N2C3=CC=CC=C3NC2=C1C#N

Isomeric SMILES

CC(C(=O)O)SCC1=CC(=O)N2C3=CC=CC=C3NC2=C1C#N

InChI

InChI=1S/C16H13N3O3S/c1-9(16(21)22)23-8-10-6-14(20)19-13-5-3-2-4-12(13)18-15(19)11(10)7-17/h2-6,9,18H,8H2,1H3,(H,21,22)