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

Systemtic Name: ethyl 2-[3-(4-methoxyphenyl)propanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(4-methoxyphenyl)propanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate CAS Name: 2-[[3-(4-methoxyphenyl)-1-oxopropyl]amino]-4-(3-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(4-methoxyphenyl)propanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate Traditional Name: 2-[3-(4-methoxyphenyl)propanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C23H22N2O6S MolecularWeight: 454.49558

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O6S/c1-3-31-23(27)21-19(16-5-4-6-17(13-16)25(28)29)14-32-22(21)24-20(26)12-9-15-7-10-18(30-2)11-8-15/h4-8,10-11,13-14H,3,9,12H2,1-2H3,(H,24,26)