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

Systemtic Name: ethyl 2-[2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-1-(phenylmethyl)benzimidazole-5-carboxylate Openeye Name: ethyl 1-benzyl-2-[2-oxo-2-(tetrahydrofuran-2-ylmethylamino)ethyl]sulfanyl-benzimidazole-5-carboxylate CAS Name: 2-[[2-oxo-2-(2-oxolanylmethylamino)ethyl]thio]-1-(phenylmethyl)-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-2-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanylbenzimidazole-5-carboxylate Traditional Name: 1-benzyl-2-[[2-keto-2-(tetrahydrofurfurylamino)ethyl]thio]benzimidazole-5-carboxylic acid ethyl ester Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=N2)SCC(=O)NCC3CCCO3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=N2)SCC(=O)NCC3CCCO3)CC4=CC=CC=C4

InChI

InChI=1S/C24H27N3O4S/c1-2-30-23(29)18-10-11-21-20(13-18)26-24(27(21)15-17-7-4-3-5-8-17)32-16-22(28)25-14-19-9-6-12-31-19/h3-5,7-8,10-11,13,19H,2,6,9,12,14-16H2,1H3,(H,25,28)