ethyl 1-ethyl-2-[2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 1-ethyl-2-[2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-carboxylate Openeye Name: ethyl 1-ethyl-2-[2-(4-methyl-3-nitro-anilino)-2-oxo-ethyl]sulfanyl-benzimidazole-5-carboxylate CAS Name: 1-ethyl-2-[[2-(4-methyl-3-nitroanilino)-2-oxoethyl]thio]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-[2-(4-methyl-3-nitroanilino)-2-oxoethyl]sulfanylbenzimidazole-5-carboxylate Traditional Name: 1-ethyl-2-[[2-keto-2-(4-methyl-3-nitro-anilino)ethyl]thio]benzimidazole-5-carboxylic acid ethyl ester Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)NC3=CC(=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)NC3=CC(=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O5S/c1-4-24-17-9-7-14(20(27)30-5-2)10-16(17)23-21(24)31-12-19(26)22-15-8-6-13(3)18(11-15)25(28)29/h6-11H,4-5,12H2,1-3H3,(H,22,26)