dipropan-2-yl 5-(2-ethylhexanoylamino)-3-methyl-thiophene-2,4-dicarboxylate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33NO5S/c1-8-10-11-15(9-2)18(23)22-19-16(20(24)26-12(3)4)14(7)17(28-19)21(25)27-13(5)6/h12-13,15H,8-11H2,1-7H3,(H,22,23)