ethyl 11-[[6-(phenylcarbonyl)-1H-benzimidazol-2-yl]sulfanyl]undecanoate

Systemtic Name: ethyl 11-[[6-(phenylcarbonyl)-1H-benzimidazol-2-yl]sulfanyl]undecanoate Openeye Name: ethyl 11-[(6-benzoyl-1H-benzimidazol-2-yl)sulfanyl]undecanoate CAS Name: 11-[(6-benzoyl-1H-benzimidazol-2-yl)thio]undecanoic acid ethyl ester IUPAC Name: ethyl 11-[(6-benzoyl-1H-benzimidazol-2-yl)sulfanyl]undecanoate Traditional Name: 11-[(6-benzoyl-1H-benzimidazol-2-yl)thio]undecanoic acid ethyl ester Formula: C27H34N2O3S MolecularWeight: 466.63546

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCCCCCSC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCCCCCCCCCSC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C27H34N2O3S/c1-2-32-25(30)16-12-7-5-3-4-6-8-13-19-33-27-28-23-18-17-22(20-24(23)29-27)26(31)21-14-10-9-11-15-21/h9-11,14-15,17-18,20H,2-8,12-13,16,19H2,1H3,(H,28,29)