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

Systemtic Name: ethyl 5-[(4-ethoxycarbonylphenyl)carbamoyl]-4-methyl-2-(3-phenylpropanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-[(4-ethoxycarbonylphenyl)carbamoyl]-4-methyl-2-(3-phenylpropanoylamino)thiophene-3-carboxylate CAS Name: 5-[(4-ethoxycarbonylanilino)-oxomethyl]-4-methyl-2-[(1-oxo-3-phenylpropyl)amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-ethoxycarbonylphenyl)carbamoyl]-4-methyl-2-(3-phenylpropanoylamino)thiophene-3-carboxylate Traditional Name: 5-[(4-carbethoxyphenyl)carbamoyl]-2-(hydrocinnamoylamino)-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H28N2O6S MolecularWeight: 508.58602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C(=C(S2)NC(=O)CCC3=CC=CC=C3)C(=O)OCC)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C(=C(S2)NC(=O)CCC3=CC=CC=C3)C(=O)OCC)C

InChI

InChI=1S/C27H28N2O6S/c1-4-34-26(32)19-12-14-20(15-13-19)28-24(31)23-17(3)22(27(33)35-5-2)25(36-23)29-21(30)16-11-18-9-7-6-8-10-18/h6-10,12-15H,4-5,11,16H2,1-3H3,(H,28,31)(H,29,30)