ethyl 2-[2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 2-[2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate Openeye Name: ethyl 2-[2-(5-chloro-2-cyano-anilino)-2-oxo-ethyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate CAS Name: 2-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]thio]-1-ethyl-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]sulfanyl-1-ethylbenzimidazole-5-carboxylate Traditional Name: 2-[[2-(5-chloro-2-cyano-anilino)-2-keto-ethyl]thio]-1-ethyl-benzimidazole-5-carboxylic acid ethyl ester Formula: C21H19ClN4O3S MolecularWeight: 442.91856

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)NC3=C(C=CC(=C3)Cl)C#N

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)NC3=C(C=CC(=C3)Cl)C#N

InChI

InChI=1S/C21H19ClN4O3S/c1-3-26-18-8-6-13(20(28)29-4-2)9-17(18)25-21(26)30-12-19(27)24-16-10-15(22)7-5-14(16)11-23/h5-10H,3-4,12H2,1-2H3,(H,24,27)