ethyl 1-ethyl-2-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 1-ethyl-2-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-carboxylate Openeye Name: ethyl 1-ethyl-2-[2-oxo-2-(p-tolyl)ethyl]sulfanyl-benzimidazole-5-carboxylate CAS Name: 1-ethyl-2-[[2-(4-methylphenyl)-2-oxoethyl]thio]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylbenzimidazole-5-carboxylate Traditional Name: 1-ethyl-2-[[2-keto-2-(p-tolyl)ethyl]thio]benzimidazole-5-carboxylic acid ethyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H22N2O3S/c1-4-23-18-11-10-16(20(25)26-5-2)12-17(18)22-21(23)27-13-19(24)15-8-6-14(3)7-9-15/h6-12H,4-5,13H2,1-3H3