3-(1-phenethylbenzimidazol-2-yl)sulfanylpropanoic acid

Systemtic Name: 3-(1-phenethylbenzimidazol-2-yl)sulfanylpropanoic acid Openeye Name: 3-(1-phenethylbenzimidazol-2-yl)sulfanylpropanoic acid CAS Name: 3-[(1-phenethyl-2-benzimidazolyl)thio]propanoic acid IUPAC Name: 3-(1-phenethylbenzimidazol-2-yl)sulfanylpropanoic acid Traditional Name: 3-[(1-phenethylbenzimidazol-2-yl)thio]propionic acid Formula: C18H18N2O2S MolecularWeight: 326.41272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C3=CC=CC=C3N=C2SCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCN2C3=CC=CC=C3N=C2SCCC(=O)O

InChI

InChI=1S/C18H18N2O2S/c21-17(22)11-13-23-18-19-15-8-4-5-9-16(15)20(18)12-10-14-6-2-1-3-7-14/h1-9H,10-13H2,(H,21,22)