ethyl 2-[3-(4-ethoxyphenyl)propanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[3-(4-ethoxyphenyl)propanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(4-ethoxyphenyl)propanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate CAS Name: 2-[[3-(4-ethoxyphenyl)-1-oxopropyl]amino]-4-(3-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(4-ethoxyphenyl)propanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate Traditional Name: 4-(3-nitrophenyl)-2-(3-p-phenetylpropanoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C24H24N2O6S MolecularWeight: 468.52216

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CCC(=O)NC2=C(C(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)CCC(=O)NC2=C(C(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C24H24N2O6S/c1-3-31-19-11-8-16(9-12-19)10-13-21(27)25-23-22(24(28)32-4-2)20(15-33-23)17-6-5-7-18(14-17)26(29)30/h5-9,11-12,14-15H,3-4,10,13H2,1-2H3,(H,25,27)