[2-oxidanylidene-2-(propan-2-ylamino)ethyl] (2S)-2-(4-nitrophenyl)sulfanylpropanoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] (2S)-2-(4-nitrophenyl)sulfanylpropanoate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] (2S)-2-(4-nitrophenyl)sulfanylpropanoate CAS Name: (2S)-2-[(4-nitrophenyl)thio]propanoic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] (2S)-2-(4-nitrophenyl)sulfanylpropanoate Traditional Name: (2S)-2-[(4-nitrophenyl)thio]propionic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C14H18N2O5S MolecularWeight: 326.36812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)COC(=O)C(C)SC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NC(C)C)SC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C14H18N2O5S/c1-9(2)15-13(17)8-21-14(18)10(3)22-12-6-4-11(5-7-12)16(19)20/h4-7,9-10H,8H2,1-3H3,(H,15,17)/t10-/m0/s1