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

Systemtic Name: ethyl 2-[3-(3-chlorophenyl)propanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(3-chlorophenyl)propanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate CAS Name: 2-[[3-(3-chlorophenyl)-1-oxopropyl]amino]-4-(3-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(3-chlorophenyl)propanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate Traditional Name: 2-[3-(3-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(=CC=C3)Cl

Isomeric SMILES

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

InChI

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