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

Systemtic Name: 2-ethanoylsulfanylethyl 3-[2-(4-fluorophenyl)ethylcarbamoylamino]propanoate Openeye Name: 2-acetylsulfanylethyl 3-[2-(4-fluorophenyl)ethylcarbamoylamino]propanoate CAS Name: 3-[[[2-(4-fluorophenyl)ethylamino]-oxomethyl]amino]propanoic acid 2-(acetylthio)ethyl ester IUPAC Name: 2-acetylsulfanylethyl 3-[2-(4-fluorophenyl)ethylcarbamoylamino]propanoate Traditional Name: 3-[2-(4-fluorophenyl)ethylcarbamoylamino]propionic acid 2-(acetylthio)ethyl ester Formula: C16H21FN2O4S MolecularWeight: 356.412343

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCOC(=O)CCNC(=O)NCCC1=CC=C(C=C1)F

Isomeric SMILES

CC(=O)SCCOC(=O)CCNC(=O)NCCC1=CC=C(C=C1)F

InChI

InChI=1S/C16H21FN2O4S/c1-12(20)24-11-10-23-15(21)7-9-19-16(22)18-8-6-13-2-4-14(17)5-3-13/h2-5H,6-11H2,1H3,(H2,18,19,22)