O2-tert-butyl O4-ethyl 3-methyl-5-(nonanoylamino)thiophene-2,4-dicarboxylate

Systemtic Name: O2-tert-butyl O4-ethyl 3-methyl-5-(nonanoylamino)thiophene-2,4-dicarboxylate Openeye Name: O2-tert-butyl O4-ethyl 3-methyl-5-(nonanoylamino)thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-(1-oxononylamino)thiophene-2,4-dicarboxylic acid O2-tert-butyl ester O4-ethyl ester IUPAC Name: 2-O-tert-butyl 4-O-ethyl 3-methyl-5-(nonanoylamino)thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-(pelargonylamino)thiophene-2,4-dicarboxylic acid O2-tert-butyl ester O4-ethyl ester Formula: C22H35NO5S MolecularWeight: 425.582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)NC1=C(C(=C(S1)C(=O)OC(C)(C)C)C)C(=O)OCC

Isomeric SMILES

CCCCCCCCC(=O)NC1=C(C(=C(S1)C(=O)OC(C)(C)C)C)C(=O)OCC

InChI

InChI=1S/C22H35NO5S/c1-7-9-10-11-12-13-14-16(24)23-19-17(20(25)27-8-2)15(3)18(29-19)21(26)28-22(4,5)6/h7-14H2,1-6H3,(H,23,24)