3-[2-(2-phenoxyethylsulfanyl)benzimidazol-1-yl]propanoate

Systemtic Name: 3-[2-(2-phenoxyethylsulfanyl)benzimidazol-1-yl]propanoate Openeye Name: 3-[2-(2-phenoxyethylsulfanyl)benzimidazol-1-yl]propanoate CAS Name: 3-[2-(2-phenoxyethylthio)-1-benzimidazolyl]propanoate IUPAC Name: 3-[2-(2-phenoxyethylsulfanyl)benzimidazol-1-yl]propanoate Traditional Name: 3-[2-(2-phenoxyethylthio)benzimidazol-1-yl]propionate Formula: C18H17N2O3S- MolecularWeight: 341.40418

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCSC2=NC3=CC=CC=C3N2CCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OCCSC2=NC3=CC=CC=C3N2CCC(=O)[O-]

InChI

InChI=1S/C18H18N2O3S/c21-17(22)10-11-20-16-9-5-4-8-15(16)19-18(20)24-13-12-23-14-6-2-1-3-7-14/h1-9H,10-13H2,(H,21,22)/p-1