ethyl 2-[2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 2-[2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate Openeye Name: ethyl 2-[2-(dimethylamino)-2-oxo-1-phenyl-ethyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate CAS Name: 2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]thio]-1-ethyl-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(dimethylamino)-2-oxo-1-phenylethyl]sulfanyl-1-ethylbenzimidazole-5-carboxylate Traditional Name: 2-[[2-(dimethylamino)-2-keto-1-phenyl-ethyl]thio]-1-ethyl-benzimidazole-5-carboxylic acid ethyl ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SC(C3=CC=CC=C3)C(=O)N(C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SC(C3=CC=CC=C3)C(=O)N(C)C

InChI

InChI=1S/C22H25N3O3S/c1-5-25-18-13-12-16(21(27)28-6-2)14-17(18)23-22(25)29-19(20(26)24(3)4)15-10-8-7-9-11-15/h7-14,19H,5-6H2,1-4H3