methyl 5-[(2,5-dimethylphenyl)carbamoyl]-4-methyl-2-(3-phenylpropanoylamino)thiophene-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C2=C(C(=C(S2)NC(=O)CCC3=CC=CC=C3)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C2=C(C(=C(S2)NC(=O)CCC3=CC=CC=C3)C(=O)OC)C

InChI

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