ethyl 1-ethyl-2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzimidazole-5-carboxylate

Systemtic Name: ethyl 1-ethyl-2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzimidazole-5-carboxylate Openeye Name: ethyl 1-ethyl-2-[(E)-2-(4-methylsulfanylphenyl)vinyl]benzimidazole-5-carboxylate CAS Name: 1-ethyl-2-[(E)-2-[4-(methylthio)phenyl]ethenyl]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzimidazole-5-carboxylate Traditional Name: 1-ethyl-2-[(E)-2-[4-(methylthio)phenyl]vinyl]benzimidazole-5-carboxylic acid ethyl ester Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1C=CC3=CC=C(C=C3)SC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1/C=C/C3=CC=C(C=C3)SC

InChI

InChI=1S/C21H22N2O2S/c1-4-23-19-12-9-16(21(24)25-5-2)14-18(19)22-20(23)13-8-15-6-10-17(26-3)11-7-15/h6-14H,4-5H2,1-3H3/b13-8+