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

Systemtic Name: ethyl 1-ethyl-2-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-carboxylate Openeye Name: ethyl 1-ethyl-2-[2-(4-nitrophenyl)-2-oxo-ethyl]sulfanyl-benzimidazole-5-carboxylate CAS Name: 1-ethyl-2-[[2-(4-nitrophenyl)-2-oxoethyl]thio]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-[2-(4-nitrophenyl)-2-oxoethyl]sulfanylbenzimidazole-5-carboxylate Traditional Name: 1-ethyl-2-[[2-keto-2-(4-nitrophenyl)ethyl]thio]benzimidazole-5-carboxylic acid ethyl ester Formula: C20H19N3O5S MolecularWeight: 413.44696

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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)[N+](=O)[O-]

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O5S/c1-3-22-17-10-7-14(19(25)28-4-2)11-16(17)21-20(22)29-12-18(24)13-5-8-15(9-6-13)23(26)27/h5-11H,3-4,12H2,1-2H3