ethyl 11-(1H-benzimidazol-2-ylsulfanyl)dodecanoate

Systemtic Name: ethyl 11-(1H-benzimidazol-2-ylsulfanyl)dodecanoate Openeye Name: ethyl 11-(1H-benzimidazol-2-ylsulfanyl)dodecanoate CAS Name: 11-(1H-benzimidazol-2-ylthio)dodecanoic acid ethyl ester IUPAC Name: ethyl 11-(1H-benzimidazol-2-ylsulfanyl)dodecanoate Traditional Name: 11-(1H-benzimidazol-2-ylthio)lauric acid ethyl ester Formula: C21H32N2O2S MolecularWeight: 376.55598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCCCCC(C)SC1=NC2=CC=CC=C2N1

Isomeric SMILES

CCOC(=O)CCCCCCCCCC(C)SC1=NC2=CC=CC=C2N1

InChI

InChI=1S/C21H32N2O2S/c1-3-25-20(24)16-10-8-6-4-5-7-9-13-17(2)26-21-22-18-14-11-12-15-19(18)23-21/h11-12,14-15,17H,3-10,13,16H2,1-2H3,(H,22,23)