ethyl 4-methyl-5-[(2-methylphenyl)carbamoyl]-2-(3-phenylpropanoylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-methyl-5-[(2-methylphenyl)carbamoyl]-2-(3-phenylpropanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-methyl-5-(o-tolylcarbamoyl)-2-(3-phenylpropanoylamino)thiophene-3-carboxylate CAS Name: 4-methyl-5-[(2-methylanilino)-oxomethyl]-2-[(1-oxo-3-phenylpropyl)amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-5-[(2-methylphenyl)carbamoyl]-2-(3-phenylpropanoylamino)thiophene-3-carboxylate Traditional Name: 2-(hydrocinnamoylamino)-4-methyl-5-(o-tolylcarbamoyl)thiophene-3-carboxylic acid ethyl ester Formula: C25H26N2O4S MolecularWeight: 450.54994

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2C)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2C)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C25H26N2O4S/c1-4-31-25(30)21-17(3)22(23(29)26-19-13-9-8-10-16(19)2)32-24(21)27-20(28)15-14-18-11-6-5-7-12-18/h5-13H,4,14-15H2,1-3H3,(H,26,29)(H,27,28)