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

Systemtic Name: ethyl 5-(diethylcarbamoyl)-4-methyl-2-(3-phenylpropanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-(diethylcarbamoyl)-4-methyl-2-(3-phenylpropanoylamino)thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-4-methyl-2-[(1-oxo-3-phenylpropyl)amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(diethylcarbamoyl)-4-methyl-2-(3-phenylpropanoylamino)thiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-2-(hydrocinnamoylamino)-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)CCC2=CC=CC=C2)C(=O)OCC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)CCC2=CC=CC=C2)C(=O)OCC)C

InChI

InChI=1S/C22H28N2O4S/c1-5-24(6-2)21(26)19-15(4)18(22(27)28-7-3)20(29-19)23-17(25)14-13-16-11-9-8-10-12-16/h8-12H,5-7,13-14H2,1-4H3,(H,23,25)