tetramethyl 8-(1H-benzimidazol-2-ylsulfanyl)octane-1,3,5,7-tetracarboxylate

Systemtic Name: tetramethyl 8-(1H-benzimidazol-2-ylsulfanyl)octane-1,3,5,7-tetracarboxylate Openeye Name: tetramethyl 8-(1H-benzimidazol-2-ylsulfanyl)octane-1,3,5,7-tetracarboxylate CAS Name: 8-(1H-benzimidazol-2-ylthio)octane-1,3,5,7-tetracarboxylic acid tetramethyl ester IUPAC Name: tetramethyl 8-(1H-benzimidazol-2-ylsulfanyl)octane-1,3,5,7-tetracarboxylate Traditional Name: 8-(1H-benzimidazol-2-ylthio)octane-1,3,5,7-tetracarboxylic acid tetramethyl ester Formula: C23H30N2O8S MolecularWeight: 494.5579

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(CC(CC(CSC1=NC2=CC=CC=C2N1)C(=O)OC)C(=O)OC)C(=O)OC

Isomeric SMILES

COC(=O)CCC(CC(CC(CSC1=NC2=CC=CC=C2N1)C(=O)OC)C(=O)OC)C(=O)OC

InChI

InChI=1S/C23H30N2O8S/c1-30-19(26)10-9-14(20(27)31-2)11-15(21(28)32-3)12-16(22(29)33-4)13-34-23-24-17-7-5-6-8-18(17)25-23/h5-8,14-16H,9-13H2,1-4H3,(H,24,25)