bis(phenylmethyl) 2-[1-(1H-benzimidazol-2-ylsulfanyl)butyl]butanedioate

Systemtic Name: bis(phenylmethyl) 2-[1-(1H-benzimidazol-2-ylsulfanyl)butyl]butanedioate Openeye Name: dibenzyl 2-[1-(1H-benzimidazol-2-ylsulfanyl)butyl]butanedioate CAS Name: 2-[1-(1H-benzimidazol-2-ylthio)butyl]butanedioic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 2-[1-(1H-benzimidazol-2-ylsulfanyl)butyl]butanedioate Traditional Name: 2-[1-(1H-benzimidazol-2-ylthio)butyl]succinic acid dibenzyl ester Formula: C29H30N2O4S MolecularWeight: 502.6245

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)SC3=NC4=CC=CC=C4N3

Isomeric SMILES

CCCC(C(CC(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)SC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C29H30N2O4S/c1-2-11-26(36-29-30-24-16-9-10-17-25(24)31-29)23(28(33)35-20-22-14-7-4-8-15-22)18-27(32)34-19-21-12-5-3-6-13-21/h3-10,12-17,23,26H,2,11,18-20H2,1H3,(H,30,31)