[(1S)-2-oxidanylidenecyclohexyl] 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: [(1S)-2-oxocyclohexyl] 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid [(1S)-2-ketocyclohexyl] ester Formula: C15H13NO5S MolecularWeight: 319.33242

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)OC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(=O)[C@H](C1)OC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H13NO5S/c17-11-3-1-2-4-12(11)21-15(18)14-8-9-7-10(16(19)20)5-6-13(9)22-14/h5-8,12H,1-4H2/t12-/m0/s1