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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34N2O4S/c1-6-10-11-12-13-14-16(24)22-19-17(21(26)27-9-4)15(5)18(28-19)20(25)23(7-2)8-3/h6-14H2,1-5H3,(H,22,24)