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

Systemtic Name: O2-tert-butyl O4-ethyl 3-methyl-5-(octanoylamino)thiophene-2,4-dicarboxylate Openeye Name: O2-tert-butyl O4-ethyl 3-methyl-5-(octanoylamino)thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-(1-oxooctylamino)thiophene-2,4-dicarboxylic acid O2-tert-butyl ester O4-ethyl ester IUPAC Name: 2-O-tert-butyl 4-O-ethyl 3-methyl-5-(octanoylamino)thiophene-2,4-dicarboxylate Traditional Name: 5-(caprylylamino)-3-methyl-thiophene-2,4-dicarboxylic acid O2-tert-butyl ester O4-ethyl ester Formula: C21H33NO5S MolecularWeight: 411.55542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33NO5S/c1-7-9-10-11-12-13-15(23)22-18-16(19(24)26-8-2)14(3)17(28-18)20(25)27-21(4,5)6/h7-13H2,1-6H3,(H,22,23)