ethyl 5-nitro-2-[(2-phenylquinolin-4-yl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-nitro-2-[(2-phenylquinolin-4-yl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-nitro-2-[(2-phenylquinoline-4-carbonyl)amino]thiophene-3-carboxylate CAS Name: 5-nitro-2-[[oxo-(2-phenyl-4-quinolinyl)methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-nitro-2-[(2-phenylquinoline-4-carbonyl)amino]thiophene-3-carboxylate Traditional Name: 5-nitro-2-[(2-phenylquinoline-4-carbonyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C23H17N3O5S MolecularWeight: 447.46318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)[N+](=O)[O-])NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)[N+](=O)[O-])NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C23H17N3O5S/c1-2-31-23(28)17-13-20(26(29)30)32-22(17)25-21(27)16-12-19(14-8-4-3-5-9-14)24-18-11-7-6-10-15(16)18/h3-13H,2H2,1H3,(H,25,27)