1-(3-ethanoylsulfanylpropanoyl)-4-(4-phenylphenoxy)pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(3-ethanoylsulfanylpropanoyl)-4-(4-phenylphenoxy)pyrrolidine-2-carboxylic acid Openeye Name: 1-(3-acetylsulfanylpropanoyl)-4-(4-phenylphenoxy)pyrrolidine-2-carboxylic acid CAS Name: 1-[3-(acetylthio)-1-oxopropyl]-4-(4-phenylphenoxy)-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(3-acetylsulfanylpropanoyl)-4-(4-phenylphenoxy)pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-(acetylthio)propanoyl]-4-(4-phenylphenoxy)proline Formula: C22H23NO5S MolecularWeight: 413.48672

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(=O)N1CC(CC1C(=O)O)OC2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CC(=O)SCCC(=O)N1CC(CC1C(=O)O)OC2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H23NO5S/c1-15(24)29-12-11-21(25)23-14-19(13-20(23)22(26)27)28-18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-10,19-20H,11-14H2,1H3,(H,26,27)