ethyl 4-(3-nitrophenyl)-2-(3-phenylpropanoylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(3-nitrophenyl)-2-(3-phenylpropanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(3-nitrophenyl)-2-(3-phenylpropanoylamino)thiophene-3-carboxylate CAS Name: 4-(3-nitrophenyl)-2-[(1-oxo-3-phenylpropyl)amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-nitrophenyl)-2-(3-phenylpropanoylamino)thiophene-3-carboxylate Traditional Name: 2-(hydrocinnamoylamino)-4-(3-nitrophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C22H20N2O5S MolecularWeight: 424.4696

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O5S/c1-2-29-22(26)20-18(16-9-6-10-17(13-16)24(27)28)14-30-21(20)23-19(25)12-11-15-7-4-3-5-8-15/h3-10,13-14H,2,11-12H2,1H3,(H,23,25)