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

Systemtic Name: ethyl 2-[2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate Openeye Name: ethyl 2-[2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate CAS Name: 2-[[2-(cyclopropylamino)-2-oxo-1-phenylethyl]thio]-1-ethyl-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(cyclopropylamino)-2-oxo-1-phenylethyl]sulfanyl-1-ethylbenzimidazole-5-carboxylate Traditional Name: 2-[[2-(cyclopropylamino)-2-keto-1-phenyl-ethyl]thio]-1-ethyl-benzimidazole-5-carboxylic acid ethyl ester Formula: C23H25N3O3S MolecularWeight: 423.5279

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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)NC4CC4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SC(C3=CC=CC=C3)C(=O)NC4CC4

InChI

InChI=1S/C23H25N3O3S/c1-3-26-19-13-10-16(22(28)29-4-2)14-18(19)25-23(26)30-20(15-8-6-5-7-9-15)21(27)24-17-11-12-17/h5-10,13-14,17,20H,3-4,11-12H2,1-2H3,(H,24,27)