ethyl 2-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 2-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate Openeye Name: ethyl 2-[2-(3,5-dimethylanilino)-2-oxo-1-phenyl-ethyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate CAS Name: 2-[[2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl]thio]-1-ethyl-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl]sulfanyl-1-ethylbenzimidazole-5-carboxylate Traditional Name: 2-[[2-(3,5-dimethylanilino)-2-keto-1-phenyl-ethyl]thio]-1-ethyl-benzimidazole-5-carboxylic acid ethyl ester Formula: C28H29N3O3S MolecularWeight: 487.61316

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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)NC4=CC(=CC(=C4)C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SC(C3=CC=CC=C3)C(=O)NC4=CC(=CC(=C4)C)C

InChI

InChI=1S/C28H29N3O3S/c1-5-31-24-13-12-21(27(33)34-6-2)17-23(24)30-28(31)35-25(20-10-8-7-9-11-20)26(32)29-22-15-18(3)14-19(4)16-22/h7-17,25H,5-6H2,1-4H3,(H,29,32)