3-[1-(2-phenoxyethyl)benzimidazol-2-yl]sulfanylpropanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCN2C3=CC=CC=C3N=C2SCCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OCCN2C3=CC=CC=C3N=C2SCCC(=O)[O-]

InChI

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