ethyl 5-(diethylcarbamoyl)-2-(2-ethylhexanoylamino)-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-(diethylcarbamoyl)-2-(2-ethylhexanoylamino)-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-(diethylcarbamoyl)-2-(2-ethylhexanoylamino)-4-methyl-thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-2-[(2-ethyl-1-oxohexyl)amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(diethylcarbamoyl)-2-(2-ethylhexanoylamino)-4-methylthiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-2-(2-ethylhexanoylamino)-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H34N2O4S MolecularWeight: 410.57066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34N2O4S/c1-7-12-13-15(8-2)18(24)22-19-16(21(26)27-11-5)14(6)17(28-19)20(25)23(9-3)10-4/h15H,7-13H2,1-6H3,(H,22,24)