[2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl] 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl] 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: [2-oxo-2-(tetrahydrofuran-2-ylmethylamino)ethyl] 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [2-oxo-2-(2-oxolanylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid [2-keto-2-(tetrahydrofurfurylamino)ethyl] ester Formula: C16H16N2O6S MolecularWeight: 364.37304

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)COC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC(OC1)CNC(=O)COC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O6S/c19-15(17-8-12-2-1-5-23-12)9-24-16(20)14-7-10-6-11(18(21)22)3-4-13(10)25-14/h3-4,6-7,12H,1-2,5,8-9H2,(H,17,19)