ethyl 1-ethyl-2-[(4-methoxycarbonylphenyl)methylsulfanyl]benzimidazole-5-carboxylate

Systemtic Name: ethyl 1-ethyl-2-[(4-methoxycarbonylphenyl)methylsulfanyl]benzimidazole-5-carboxylate Openeye Name: ethyl 1-ethyl-2-[(4-methoxycarbonylphenyl)methylsulfanyl]benzimidazole-5-carboxylate CAS Name: 1-ethyl-2-[(4-methoxycarbonylphenyl)methylthio]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-[(4-methoxycarbonylphenyl)methylsulfanyl]benzimidazole-5-carboxylate Traditional Name: 2-[(4-carbomethoxybenzyl)thio]-1-ethyl-benzimidazole-5-carboxylic acid ethyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H22N2O4S/c1-4-23-18-11-10-16(20(25)27-5-2)12-17(18)22-21(23)28-13-14-6-8-15(9-7-14)19(24)26-3/h6-12H,4-5,13H2,1-3H3