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

Systemtic Name: ethyl 5-(diethylcarbamoyl)-4-methyl-2-(nonanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-(diethylcarbamoyl)-4-methyl-2-(nonanoylamino)thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-4-methyl-2-(1-oxononylamino)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(diethylcarbamoyl)-4-methyl-2-(nonanoylamino)thiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-4-methyl-2-(pelargonylamino)thiophene-3-carboxylic acid ethyl ester Formula: C22H36N2O4S MolecularWeight: 424.59724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H36N2O4S/c1-6-10-11-12-13-14-15-17(25)23-20-18(22(27)28-9-4)16(5)19(29-20)21(26)24(7-2)8-3/h6-15H2,1-5H3,(H,23,25)