methyl 5-(diethylcarbamoyl)-4-methyl-2-(4-phenylbutanoylamino)thiophene-3-carboxylate

Systemtic Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-(4-phenylbutanoylamino)thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-(4-phenylbutanoylamino)thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-4-methyl-2-[(1-oxo-4-phenylbutyl)amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-(4-phenylbutanoylamino)thiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-4-methyl-2-(4-phenylbutanoylamino)thiophene-3-carboxylic acid methyl 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)CCCC2=CC=CC=C2)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)CCCC2=CC=CC=C2)C(=O)OC)C

InChI

InChI=1S/C22H28N2O4S/c1-5-24(6-2)21(26)19-15(3)18(22(27)28-4)20(29-19)23-17(25)14-10-13-16-11-8-7-9-12-16/h7-9,11-12H,5-6,10,13-14H2,1-4H3,(H,23,25)