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

Systemtic Name: ethyl 2-[3-(4-methylphenyl)propanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 4-(3-nitrophenyl)-2-[3-(p-tolyl)propanoylamino]thiophene-3-carboxylate CAS Name: 2-[[3-(4-methylphenyl)-1-oxopropyl]amino]-4-(3-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(4-methylphenyl)propanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate Traditional Name: 4-(3-nitrophenyl)-2-[3-(p-tolyl)propanoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C23H22N2O5S MolecularWeight: 438.49618

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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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O5S/c1-3-30-23(27)21-19(17-5-4-6-18(13-17)25(28)29)14-31-22(21)24-20(26)12-11-16-9-7-15(2)8-10-16/h4-10,13-14H,3,11-12H2,1-2H3,(H,24,26)