ethyl 1-ethyl-2-[2-(phenylsulfinyl)ethylsulfanyl]benzimidazole-5-carboxylate

Systemtic Name: ethyl 1-ethyl-2-[2-(phenylsulfinyl)ethylsulfanyl]benzimidazole-5-carboxylate Openeye Name: ethyl 2-[2-(benzenesulfinyl)ethylsulfanyl]-1-ethyl-benzimidazole-5-carboxylate CAS Name: 2-[2-(benzenesulfinyl)ethylthio]-1-ethyl-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(benzenesulfinyl)ethylsulfanyl]-1-ethylbenzimidazole-5-carboxylate Traditional Name: 2-[2-(benzenesulfinyl)ethylthio]-1-ethyl-benzimidazole-5-carboxylic acid ethyl ester Formula: C20H22N2O3S2 MolecularWeight: 402.53028

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCCS(=O)C3=CC=CC=C3

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCCS(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H22N2O3S2/c1-3-22-18-11-10-15(19(23)25-4-2)14-17(18)21-20(22)26-12-13-27(24)16-8-6-5-7-9-16/h5-11,14H,3-4,12-13H2,1-2H3