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

Systemtic Name: ethyl 1-[2-(4-methoxyphenyl)ethyl]-2-[2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-benzimidazole-5-carboxylate Openeye Name: ethyl 1-[2-(4-methoxyphenyl)ethyl]-2-[2-oxo-2-(tetrahydrofuran-2-ylmethylamino)ethyl]sulfanyl-benzimidazole-5-carboxylate CAS Name: 1-[2-(4-methoxyphenyl)ethyl]-2-[[2-oxo-2-(2-oxolanylmethylamino)ethyl]thio]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-methoxyphenyl)ethyl]-2-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanylbenzimidazole-5-carboxylate Traditional Name: 2-[[2-keto-2-(tetrahydrofurfurylamino)ethyl]thio]-1-[2-(4-methoxyphenyl)ethyl]benzimidazole-5-carboxylic acid ethyl ester Formula: C26H31N3O5S MolecularWeight: 497.60644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=N2)SCC(=O)NCC3CCCO3)CCC4=CC=C(C=C4)OC

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=N2)SCC(=O)NCC3CCCO3)CCC4=CC=C(C=C4)OC

InChI

InChI=1S/C26H31N3O5S/c1-3-33-25(31)19-8-11-23-22(15-19)28-26(35-17-24(30)27-16-21-5-4-14-34-21)29(23)13-12-18-6-9-20(32-2)10-7-18/h6-11,15,21H,3-5,12-14,16-17H2,1-2H3,(H,27,30)