4-[2-(1H-benzimidazol-2-ylsulfanyl)ethoxy]benzoate

Systemtic Name: 4-[2-(1H-benzimidazol-2-ylsulfanyl)ethoxy]benzoate Openeye Name: 4-[2-(1H-benzimidazol-2-ylsulfanyl)ethoxy]benzoate CAS Name: 4-[2-(1H-benzimidazol-2-ylthio)ethoxy]benzoate IUPAC Name: 4-[2-(1H-benzimidazol-2-ylsulfanyl)ethoxy]benzoate Traditional Name: 4-[2-(1H-benzimidazol-2-ylthio)ethoxy]benzoate Formula: C16H13N2O3S- MolecularWeight: 313.35102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SCCOC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SCCOC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C16H14N2O3S/c19-15(20)11-5-7-12(8-6-11)21-9-10-22-16-17-13-3-1-2-4-14(13)18-16/h1-8H,9-10H2,(H,17,18)(H,19,20)/p-1