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

Systemtic Name: ethyl 5-nitro-2-[(2-thiophen-2-ylquinolin-4-yl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-nitro-2-[[2-(2-thienyl)quinoline-4-carbonyl]amino]thiophene-3-carboxylate CAS Name: 5-nitro-2-[[oxo-(2-thiophen-2-yl-4-quinolinyl)methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-nitro-2-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]thiophene-3-carboxylate Traditional Name: 5-nitro-2-[[2-(2-thienyl)quinoline-4-carbonyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H15N3O5S2 MolecularWeight: 453.4909

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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=CS4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)[N+](=O)[O-])NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4

InChI

InChI=1S/C21H15N3O5S2/c1-2-29-21(26)14-11-18(24(27)28)31-20(14)23-19(25)13-10-16(17-8-5-9-30-17)22-15-7-4-3-6-12(13)15/h3-11H,2H2,1H3,(H,23,25)