[2-oxidanylidene-2-[phenethyl(thiophen-2-ylmethyl)amino]ethyl] 5-nitrofuran-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[phenethyl(thiophen-2-ylmethyl)amino]ethyl] 5-nitrofuran-2-carboxylate Openeye Name: [2-oxo-2-[phenethyl(2-thienylmethyl)amino]ethyl] 5-nitrofuran-2-carboxylate CAS Name: 5-nitro-2-furancarboxylic acid [2-oxo-2-[phenethyl(thiophen-2-ylmethyl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[phenethyl(thiophen-2-ylmethyl)amino]ethyl] 5-nitrofuran-2-carboxylate Traditional Name: 5-nitrofuran-2-carboxylic acid [2-keto-2-[phenethyl(2-thenyl)amino]ethyl] ester Formula: C20H18N2O6S MolecularWeight: 414.43172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(CC2=CC=CS2)C(=O)COC(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCN(CC2=CC=CS2)C(=O)COC(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N2O6S/c23-18(14-27-20(24)17-8-9-19(28-17)22(25)26)21(13-16-7-4-12-29-16)11-10-15-5-2-1-3-6-15/h1-9,12H,10-11,13-14H2