ethyl 1-ethyl-2-[1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl]sulfanyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 1-ethyl-2-[1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl]sulfanyl-benzimidazole-5-carboxylate Openeye Name: ethyl 1-ethyl-2-[2-[(4-methoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl]sulfanyl-benzimidazole-5-carboxylate CAS Name: 1-ethyl-2-[[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]thio]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]sulfanylbenzimidazole-5-carboxylate Traditional Name: 1-ethyl-2-[[2-keto-1-methyl-2-(p-anisylamino)ethyl]thio]benzimidazole-5-carboxylic acid ethyl ester Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SC(C)C(=O)NCC3=CC=C(C=C3)OC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SC(C)C(=O)NCC3=CC=C(C=C3)OC

InChI

InChI=1S/C23H27N3O4S/c1-5-26-20-12-9-17(22(28)30-6-2)13-19(20)25-23(26)31-15(3)21(27)24-14-16-7-10-18(29-4)11-8-16/h7-13,15H,5-6,14H2,1-4H3,(H,24,27)