dimethyl 3,4-bis(1H-benzimidazol-2-ylsulfanyl)hexanedioate

Systemtic Name: dimethyl 3,4-bis(1H-benzimidazol-2-ylsulfanyl)hexanedioate Openeye Name: dimethyl 3,4-bis(1H-benzimidazol-2-ylsulfanyl)hexanedioate CAS Name: 3,4-bis(1H-benzimidazol-2-ylthio)hexanedioic acid dimethyl ester IUPAC Name: dimethyl 3,4-bis(1H-benzimidazol-2-ylsulfanyl)hexanedioate Traditional Name: 3,4-bis(1H-benzimidazol-2-ylthio)adipic acid dimethyl ester Formula: C22H22N4O4S2 MolecularWeight: 470.56448

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C(CC(=O)OC)SC1=NC2=CC=CC=C2N1)SC3=NC4=CC=CC=C4N3

Isomeric SMILES

COC(=O)CC(C(CC(=O)OC)SC1=NC2=CC=CC=C2N1)SC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H22N4O4S2/c1-29-19(27)11-17(31-21-23-13-7-3-4-8-14(13)24-21)18(12-20(28)30-2)32-22-25-15-9-5-6-10-16(15)26-22/h3-10,17-18H,11-12H2,1-2H3,(H,23,24)(H,25,26)