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

Systemtic Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-(3-phenylpropanoylamino)thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-(3-phenylpropanoylamino)thiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-2-(hydrocinnamoylamino)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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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)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4S/c1-5-23(6-2)20(25)18-14(3)17(21(26)27-4)19(28-18)22-16(24)13-12-15-10-8-7-9-11-15/h7-11H,5-6,12-13H2,1-4H3,(H,22,24)