3-[2-(2-phenoxyethylsulfanyl)benzimidazol-1-yl]propanoic acid

Systemtic Name: 3-[2-(2-phenoxyethylsulfanyl)benzimidazol-1-yl]propanoic acid Openeye Name: 3-[2-(2-phenoxyethylsulfanyl)benzimidazol-1-yl]propanoic acid CAS Name: 3-[2-(2-phenoxyethylthio)-1-benzimidazolyl]propanoic acid IUPAC Name: 3-[2-(2-phenoxyethylsulfanyl)benzimidazol-1-yl]propanoic acid Traditional Name: 3-[2-(2-phenoxyethylthio)benzimidazol-1-yl]propionic acid Formula: C18H18N2O3S MolecularWeight: 342.41212

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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)