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

Systemtic Name: O2-tert-butyl O4-ethyl 5-(2-ethylhexanoylamino)-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-tert-butyl O4-ethyl 5-(2-ethylhexanoylamino)-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[(2-ethyl-1-oxohexyl)amino]-3-methylthiophene-2,4-dicarboxylic acid O2-tert-butyl ester O4-ethyl ester IUPAC Name: 2-O-tert-butyl 4-O-ethyl 5-(2-ethylhexanoylamino)-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-(2-ethylhexanoylamino)-3-methyl-thiophene-2,4-dicarboxylic acid O2-tert-butyl ester O4-ethyl ester Formula: C21H33NO5S MolecularWeight: 411.55542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC1=C(C(=C(S1)C(=O)OC(C)(C)C)C)C(=O)OCC

Isomeric SMILES

CCCCC(CC)C(=O)NC1=C(C(=C(S1)C(=O)OC(C)(C)C)C)C(=O)OCC

InChI

InChI=1S/C21H33NO5S/c1-8-11-12-14(9-2)17(23)22-18-15(19(24)26-10-3)13(4)16(28-18)20(25)27-21(5,6)7/h14H,8-12H2,1-7H3,(H,22,23)