[2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl] 5-nitrothiophene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl] 5-nitrothiophene-2-carboxylate Openeye Name: [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [2-keto-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester Formula: C16H16N2O5S MolecularWeight: 348.37364

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)COC(=O)C1=CC=C(S1)[N+](=O)[O-])C2=CC=CC=C2

Isomeric SMILES

C[C@H](CNC(=O)COC(=O)C1=CC=C(S1)[N+](=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C16H16N2O5S/c1-11(12-5-3-2-4-6-12)9-17-14(19)10-23-16(20)13-7-8-15(24-13)18(21)22/h2-8,11H,9-10H2,1H3,(H,17,19)/t11-/m1/s1