[(1S)-2-(diethylamino)-2-oxidanylidene-1-phenyl-ethyl] 5-nitrothiophene-2-carboxylate

Systemtic Name: [(1S)-2-(diethylamino)-2-oxidanylidene-1-phenyl-ethyl] 5-nitrothiophene-2-carboxylate Openeye Name: [(1S)-2-(diethylamino)-2-oxo-1-phenyl-ethyl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [(1S)-2-(diethylamino)-2-keto-1-phenyl-ethyl] ester Formula: C17H18N2O5S MolecularWeight: 362.40022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O5S/c1-3-18(4-2)16(20)15(12-8-6-5-7-9-12)24-17(21)13-10-11-14(25-13)19(22)23/h5-11,15H,3-4H2,1-2H3/t15-/m0/s1