[2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl] 2-[1-(phenylmethyl)benzimidazol-2-yl]sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl] 2-[1-(phenylmethyl)benzimidazol-2-yl]sulfanylethanoate Openeye Name: [2-oxo-2-(tetrahydrofuran-2-ylmethylamino)ethyl] 2-(1-benzylbenzimidazol-2-yl)sulfanylacetate CAS Name: 2-[[1-(phenylmethyl)-2-benzimidazolyl]thio]acetic acid [2-oxo-2-(2-oxolanylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-(1-benzylbenzimidazol-2-yl)sulfanylacetate Traditional Name: 2-[(1-benzylbenzimidazol-2-yl)thio]acetic acid [2-keto-2-(tetrahydrofurfurylamino)ethyl] ester Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)COC(=O)CSC2=NC3=CC=CC=C3N2CC4=CC=CC=C4

Isomeric SMILES

C1CC(OC1)CNC(=O)COC(=O)CSC2=NC3=CC=CC=C3N2CC4=CC=CC=C4

InChI

InChI=1S/C23H25N3O4S/c27-21(24-13-18-9-6-12-29-18)15-30-22(28)16-31-23-25-19-10-4-5-11-20(19)26(23)14-17-7-2-1-3-8-17/h1-5,7-8,10-11,18H,6,9,12-16H2,(H,24,27)