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diphenyl 2-(1H-benzimidazol-2-ylsulfanyl)heptanedioate

diphenyl 2-(1H-benzimidazol-2-ylsulfanyl)heptanedioate

Systemtic Name:diphenyl 2-(1H-benzimidazol-2-ylsulfanyl)heptanedioate
Openeye Name:diphenyl 2-(1H-benzimidazol-2-ylsulfanyl)heptanedioate
CAS Name:2-(1H-benzimidazol-2-ylthio)heptanedioic acid diphenyl ester
IUPAC Name:diphenyl 2-(1H-benzimidazol-2-ylsulfanyl)heptanedioate
Traditional Name:2-(1H-benzimidazol-2-ylthio)pimelic acid diphenyl ester
Formula: C26H24N2O4S
MolecularWeight: 460.54476
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=O)CCCCC(C(=O)OC2=CC=CC=C2)SC3=NC4=CC=CC=C4N3


Isomeric SMILES

C1=CC=C(C=C1)OC(=O)CCCCC(C(=O)OC2=CC=CC=C2)SC3=NC4=CC=CC=C4N3


InChI

InChI=1S/C26H24N2O4S/c29-24(31-19-11-3-1-4-12-19)18-10-9-17-23(25(30)32-20-13-5-2-6-14-20)33-26-27-21-15-7-8-16-22(21)28-26/h1-8,11-16,23H,9-10,17-18H2,(H,27,28)


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