ethyl 1-ethyl-2-[2-[(2-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 1-ethyl-2-[2-[(2-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-carboxylate Openeye Name: ethyl 1-ethyl-2-[2-[(2-methoxyphenyl)methylamino]-2-oxo-ethyl]sulfanyl-benzimidazole-5-carboxylate CAS Name: 1-ethyl-2-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]thio]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]sulfanylbenzimidazole-5-carboxylate Traditional Name: 1-ethyl-2-[[2-keto-2-(o-anisylamino)ethyl]thio]benzimidazole-5-carboxylic acid ethyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)NCC3=CC=CC=C3OC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)NCC3=CC=CC=C3OC

InChI

InChI=1S/C22H25N3O4S/c1-4-25-18-11-10-15(21(27)29-5-2)12-17(18)24-22(25)30-14-20(26)23-13-16-8-6-7-9-19(16)28-3/h6-12H,4-5,13-14H2,1-3H3,(H,23,26)