3-(1-phenethylbenzimidazol-2-yl)sulfanylpropanoate

Systemtic Name: 3-(1-phenethylbenzimidazol-2-yl)sulfanylpropanoate Openeye Name: 3-(1-phenethylbenzimidazol-2-yl)sulfanylpropanoate CAS Name: 3-[(1-phenethyl-2-benzimidazolyl)thio]propanoate IUPAC Name: 3-(1-phenethylbenzimidazol-2-yl)sulfanylpropanoate Traditional Name: 3-[(1-phenethylbenzimidazol-2-yl)thio]propionate Formula: C18H17N2O2S- MolecularWeight: 325.40478

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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)/p-1