3-(2-phenethylsulfanylbenzimidazol-1-yl)propanoate

Systemtic Name: 3-(2-phenethylsulfanylbenzimidazol-1-yl)propanoate Openeye Name: 3-(2-phenethylsulfanylbenzimidazol-1-yl)propanoate CAS Name: 3-[2-(phenethylthio)-1-benzimidazolyl]propanoate IUPAC Name: 3-(2-phenethylsulfanylbenzimidazol-1-yl)propanoate Traditional Name: 3-[2-(phenethylthio)benzimidazol-1-yl]propionate Formula: C18H17N2O2S- MolecularWeight: 325.40478

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSC2=NC3=CC=CC=C3N2CCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCSC2=NC3=CC=CC=C3N2CCC(=O)[O-]

InChI

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