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

Systemtic Name: ethyl 2-[2-[(4-dimethylaminophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate Openeye Name: ethyl 2-[2-[4-(dimethylamino)anilino]-2-oxo-ethyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate CAS Name: 2-[[2-[4-(dimethylamino)anilino]-2-oxoethyl]thio]-1-ethyl-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[4-(dimethylamino)anilino]-2-oxoethyl]sulfanyl-1-ethylbenzimidazole-5-carboxylate Traditional Name: 2-[[2-[4-(dimethylamino)anilino]-2-keto-ethyl]thio]-1-ethyl-benzimidazole-5-carboxylic acid ethyl ester Formula: C22H26N4O3S MolecularWeight: 426.53184

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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)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O3S/c1-5-26-19-12-7-15(21(28)29-6-2)13-18(19)24-22(26)30-14-20(27)23-16-8-10-17(11-9-16)25(3)4/h7-13H,5-6,14H2,1-4H3,(H,23,27)