2-[2-[(E)-[2-(1H-benzimidazol-3-ium-2-ylsulfanyl)ethanoylhydrazinylidene]methyl]phenoxy]ethanoate

Systemtic Name: 2-[2-[(E)-[2-(1H-benzimidazol-3-ium-2-ylsulfanyl)ethanoylhydrazinylidene]methyl]phenoxy]ethanoate Openeye Name: 2-[2-[(E)-[[2-(1H-benzimidazol-3-ium-2-ylsulfanyl)acetyl]hydrazono]methyl]phenoxy]acetate CAS Name: 2-[2-[(E)-[[2-(1H-benzimidazol-3-ium-2-ylthio)-1-oxoethyl]hydrazinylidene]methyl]phenoxy]acetate IUPAC Name: 2-[2-[(E)-[[2-(1H-benzimidazol-3-ium-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]phenoxy]acetate Traditional Name: 2-[2-[(E)-[[2-(1H-benzimidazol-3-ium-2-ylthio)acetyl]hydrazono]methyl]phenoxy]acetate Formula: C18H16N4O4S MolecularWeight: 384.40904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=NNC(=O)CSC2=[NH+]C3=CC=CC=C3N2)OCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)/C=N/NC(=O)CSC2=[NH+]C3=CC=CC=C3N2)OCC(=O)[O-]

InChI

InChI=1S/C18H16N4O4S/c23-16(11-27-18-20-13-6-2-3-7-14(13)21-18)22-19-9-12-5-1-4-8-15(12)26-10-17(24)25/h1-9H,10-11H2,(H,20,21)(H,22,23)(H,24,25)/b19-9+