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

Systemtic Name: ethyl 2-[3-(4-chlorophenyl)propanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(4-chlorophenyl)propanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate CAS Name: 2-[[3-(4-chlorophenyl)-1-oxopropyl]amino]-4-(3-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(4-chlorophenyl)propanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate Traditional Name: 2-[3-(4-chlorophenyl)propanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C22H19ClN2O5S MolecularWeight: 458.91466

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H19ClN2O5S/c1-2-30-22(27)20-18(15-4-3-5-17(12-15)25(28)29)13-31-21(20)24-19(26)11-8-14-6-9-16(23)10-7-14/h3-7,9-10,12-13H,2,8,11H2,1H3,(H,24,26)