1-(3-ethanoylsulfanyl-2-methyl-propanoyl)-4-(4-phenylphenoxy)pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(3-ethanoylsulfanyl-2-methyl-propanoyl)-4-(4-phenylphenoxy)pyrrolidine-2-carboxylic acid Openeye Name: 1-(3-acetylsulfanyl-2-methyl-propanoyl)-4-(4-phenylphenoxy)pyrrolidine-2-carboxylic acid CAS Name: 1-[3-(acetylthio)-2-methyl-1-oxopropyl]-4-(4-phenylphenoxy)-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(3-acetylsulfanyl-2-methylpropanoyl)-4-(4-phenylphenoxy)pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-(acetylthio)-2-methyl-propanoyl]-4-(4-phenylphenoxy)proline Formula: C23H25NO5S MolecularWeight: 427.5133

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO5S/c1-15(14-30-16(2)25)22(26)24-13-20(12-21(24)23(27)28)29-19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11,15,20-21H,12-14H2,1-2H3,(H,27,28)