ethyl 1-[2-(4-methoxyphenyl)ethyl]-2-[2-oxidanylidene-2-(pyridin-2-ylmethylamino)ethyl]sulfanyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 1-[2-(4-methoxyphenyl)ethyl]-2-[2-oxidanylidene-2-(pyridin-2-ylmethylamino)ethyl]sulfanyl-benzimidazole-5-carboxylate Openeye Name: ethyl 1-[2-(4-methoxyphenyl)ethyl]-2-[2-oxo-2-(2-pyridylmethylamino)ethyl]sulfanyl-benzimidazole-5-carboxylate CAS Name: 1-[2-(4-methoxyphenyl)ethyl]-2-[[2-oxo-2-(2-pyridinylmethylamino)ethyl]thio]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-methoxyphenyl)ethyl]-2-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]sulfanylbenzimidazole-5-carboxylate Traditional Name: 2-[[2-keto-2-(2-pyridylmethylamino)ethyl]thio]-1-[2-(4-methoxyphenyl)ethyl]benzimidazole-5-carboxylic acid ethyl ester Formula: C27H28N4O4S MolecularWeight: 504.60062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=N2)SCC(=O)NCC3=CC=CC=N3)CCC4=CC=C(C=C4)OC

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=N2)SCC(=O)NCC3=CC=CC=N3)CCC4=CC=C(C=C4)OC

InChI

InChI=1S/C27H28N4O4S/c1-3-35-26(33)20-9-12-24-23(16-20)30-27(31(24)15-13-19-7-10-22(34-2)11-8-19)36-18-25(32)29-17-21-6-4-5-14-28-21/h4-12,14,16H,3,13,15,17-18H2,1-2H3,(H,29,32)