[(2S)-1-(4-tert-butylphenyl)-1-oxidanylidene-propan-2-yl] 5-nitrothiophene-2-carboxylate

Systemtic Name: [(2S)-1-(4-tert-butylphenyl)-1-oxidanylidene-propan-2-yl] 5-nitrothiophene-2-carboxylate Openeye Name: [(1S)-2-(4-tert-butylphenyl)-1-methyl-2-oxo-ethyl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [(2S)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [(1S)-2-(4-tert-butylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C18H19NO5S MolecularWeight: 361.41216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO5S/c1-11(24-17(21)14-9-10-15(25-14)19(22)23)16(20)12-5-7-13(8-6-12)18(2,3)4/h5-11H,1-4H3/t11-/m0/s1