2-ethanoylsulfanylethyl 3-[2-(4-nitrophenyl)ethylcarbamoylamino]propanoate

Systemtic Name: 2-ethanoylsulfanylethyl 3-[2-(4-nitrophenyl)ethylcarbamoylamino]propanoate Openeye Name: 2-acetylsulfanylethyl 3-[2-(4-nitrophenyl)ethylcarbamoylamino]propanoate CAS Name: 3-[[[2-(4-nitrophenyl)ethylamino]-oxomethyl]amino]propanoic acid 2-(acetylthio)ethyl ester IUPAC Name: 2-acetylsulfanylethyl 3-[2-(4-nitrophenyl)ethylcarbamoylamino]propanoate Traditional Name: 3-[2-(4-nitrophenyl)ethylcarbamoylamino]propionic acid 2-(acetylthio)ethyl ester Formula: C16H21N3O6S MolecularWeight: 383.41944

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCOC(=O)CCNC(=O)NCCC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(=O)SCCOC(=O)CCNC(=O)NCCC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C16H21N3O6S/c1-12(20)26-11-10-25-15(21)7-9-18-16(22)17-8-6-13-2-4-14(5-3-13)19(23)24/h2-5H,6-11H2,1H3,(H2,17,18,22)