[2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-(4-nitrophenyl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-(4-nitrophenyl)sulfanylethanoate Openeye Name: [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-(4-nitrophenyl)sulfanylacetate CAS Name: 2-[(4-nitrophenyl)thio]acetic acid [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-(4-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-nitrophenyl)thio]acetic acid [2-keto-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)COC(=O)CSC1=CC=C(C=C1)[N+](=O)[O-])C2=CC=CC=C2

Isomeric SMILES

C[C@H](CNC(=O)COC(=O)CSC1=CC=C(C=C1)[N+](=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C19H20N2O5S/c1-14(15-5-3-2-4-6-15)11-20-18(22)12-26-19(23)13-27-17-9-7-16(8-10-17)21(24)25/h2-10,14H,11-13H2,1H3,(H,20,22)/t14-/m1/s1