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

Systemtic Name: 2-ethanoylsulfanylethyl 3-[2-(4-phenylphenyl)ethylcarbamoylamino]propanoate Openeye Name: 2-acetylsulfanylethyl 3-[2-(4-phenylphenyl)ethylcarbamoylamino]propanoate CAS Name: 3-[[oxo-[2-(4-phenylphenyl)ethylamino]methyl]amino]propanoic acid 2-(acetylthio)ethyl ester IUPAC Name: 2-acetylsulfanylethyl 3-[2-(4-phenylphenyl)ethylcarbamoylamino]propanoate Traditional Name: 3-[2-(4-phenylphenyl)ethylcarbamoylamino]propionic acid 2-(acetylthio)ethyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCOC(=O)CCNC(=O)NCCC1=CC=C(C=C1)C2=CC=CC=C2

Isomeric SMILES

CC(=O)SCCOC(=O)CCNC(=O)NCCC1=CC=C(C=C1)C2=CC=CC=C2

InChI

InChI=1S/C22H26N2O4S/c1-17(25)29-16-15-28-21(26)12-14-24-22(27)23-13-11-18-7-9-20(10-8-18)19-5-3-2-4-6-19/h2-10H,11-16H2,1H3,(H2,23,24,27)