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

Systemtic Name: ethyl 4-(3-nitrophenyl)-2-[3-(4-propan-2-ylphenyl)propanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(4-isopropylphenyl)propanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate CAS Name: 4-(3-nitrophenyl)-2-[[1-oxo-3-(4-propan-2-ylphenyl)propyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-nitrophenyl)-2-[3-(4-propan-2-ylphenyl)propanoylamino]thiophene-3-carboxylate Traditional Name: 4-(3-nitrophenyl)-2-(3-p-cumenylpropanoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C25H26N2O5S MolecularWeight: 466.54934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)CCC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)CCC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C25H26N2O5S/c1-4-32-25(29)23-21(19-6-5-7-20(14-19)27(30)31)15-33-24(23)26-22(28)13-10-17-8-11-18(12-9-17)16(2)3/h5-9,11-12,14-16H,4,10,13H2,1-3H3,(H,26,28)