[2-oxidanylidene-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 5-nitrofuran-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 5-nitrofuran-2-carboxylate Openeye Name: [2-oxo-2-[[phenyl(2-thienyl)methyl]amino]ethyl] 5-nitrofuran-2-carboxylate CAS Name: 5-nitro-2-furancarboxylic acid [2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 5-nitrofuran-2-carboxylate Traditional Name: 5-nitrofuran-2-carboxylic acid [2-keto-2-[[phenyl(2-thienyl)methyl]amino]ethyl] ester Formula: C18H14N2O6S MolecularWeight: 386.37856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)COC(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)COC(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C18H14N2O6S/c21-15(11-25-18(22)13-8-9-16(26-13)20(23)24)19-17(14-7-4-10-27-14)12-5-2-1-3-6-12/h1-10,17H,11H2,(H,19,21)