ethyl 5-(3-nitrophenyl)-3-(2-phenylethanoylamino)thiophene-2-carboxylate

Systemtic Name: ethyl 5-(3-nitrophenyl)-3-(2-phenylethanoylamino)thiophene-2-carboxylate Openeye Name: ethyl 5-(3-nitrophenyl)-3-[(2-phenylacetyl)amino]thiophene-2-carboxylate CAS Name: 5-(3-nitrophenyl)-3-[(1-oxo-2-phenylethyl)amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(3-nitrophenyl)-3-[(2-phenylacetyl)amino]thiophene-2-carboxylate Traditional Name: 5-(3-nitrophenyl)-3-[(2-phenylacetyl)amino]thiophene-2-carboxylic acid ethyl ester Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H18N2O5S/c1-2-28-21(25)20-17(22-19(24)11-14-7-4-3-5-8-14)13-18(29-20)15-9-6-10-16(12-15)23(26)27/h3-10,12-13H,2,11H2,1H3,(H,22,24)