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

Systemtic Name: tetramethyl 8-(1,3-benzoxazol-2-ylsulfanyl)octane-1,3,5,7-tetracarboxylate Openeye Name: tetramethyl 8-(1,3-benzoxazol-2-ylsulfanyl)octane-1,3,5,7-tetracarboxylate CAS Name: 8-(1,3-benzoxazol-2-ylthio)octane-1,3,5,7-tetracarboxylic acid tetramethyl ester IUPAC Name: tetramethyl 8-(1,3-benzoxazol-2-ylsulfanyl)octane-1,3,5,7-tetracarboxylate Traditional Name: 8-(1,3-benzoxazol-2-ylthio)octane-1,3,5,7-tetracarboxylic acid tetramethyl ester Formula: C23H29NO9S MolecularWeight: 495.54266

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(CC(CC(CSC1=NC2=CC=CC=C2O1)C(=O)OC)C(=O)OC)C(=O)OC

Isomeric SMILES

COC(=O)CCC(CC(CC(CSC1=NC2=CC=CC=C2O1)C(=O)OC)C(=O)OC)C(=O)OC

InChI

InChI=1S/C23H29NO9S/c1-29-19(25)10-9-14(20(26)30-2)11-15(21(27)31-3)12-16(22(28)32-4)13-34-23-24-17-7-5-6-8-18(17)33-23/h5-8,14-16H,9-13H2,1-4H3