5-[[4-[1-(6-oxidanyl-1H-benzimidazol-2-yl)ethoxy]phenyl]methyl]thiolane-2,4-dione

Systemtic Name: 5-[[4-[1-(6-oxidanyl-1H-benzimidazol-2-yl)ethoxy]phenyl]methyl]thiolane-2,4-dione Openeye Name: 5-[[4-[1-(6-hydroxy-1H-benzimidazol-2-yl)ethoxy]phenyl]methyl]tetrahydrothiophene-2,4-dione CAS Name: 5-[[4-[1-(6-hydroxy-1H-benzimidazol-2-yl)ethoxy]phenyl]methyl]thiolane-2,4-dione IUPAC Name: 5-[[4-[1-(6-hydroxy-1H-benzimidazol-2-yl)ethoxy]phenyl]methyl]thiolane-2,4-dione Traditional Name: 5-[4-[1-(6-hydroxy-1H-benzimidazol-2-yl)ethoxy]benzyl]tetrahydrothiophene-2,4-quinone Formula: C20H18N2O4S MolecularWeight: 382.43292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=C(N1)C=C(C=C2)O)OC3=CC=C(C=C3)CC4C(=O)CC(=O)S4

Isomeric SMILES

CC(C1=NC2=C(N1)C=C(C=C2)O)OC3=CC=C(C=C3)CC4C(=O)CC(=O)S4

InChI

InChI=1S/C20H18N2O4S/c1-11(20-21-15-7-4-13(23)9-16(15)22-20)26-14-5-2-12(3-6-14)8-18-17(24)10-19(25)27-18/h2-7,9,11,18,23H,8,10H2,1H3,(H,21,22)