1-[4-[4-(4-chloranylphenoxy)phenyl]-3-ethanoylsulfanyl-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-[4-(4-chloranylphenoxy)phenyl]-3-ethanoylsulfanyl-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[3-acetylsulfanyl-4-[4-(4-chlorophenoxy)phenyl]-4-oxo-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[3-(acetylthio)-4-[4-(4-chlorophenoxy)phenyl]-1,4-dioxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3-acetylsulfanyl-4-[4-(4-chlorophenoxy)phenyl]-4-oxobutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-(acetylthio)-4-[4-(4-chlorophenoxy)phenyl]-4-keto-butanoyl]proline Formula: C23H22ClNO6S MolecularWeight: 475.94188

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC(=O)N1CCCC1C(=O)O)C(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(=O)SC(CC(=O)N1CCCC1C(=O)O)C(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H22ClNO6S/c1-14(26)32-20(13-21(27)25-12-2-3-19(25)23(29)30)22(28)15-4-8-17(9-5-15)31-18-10-6-16(24)7-11-18/h4-11,19-20H,2-3,12-13H2,1H3,(H,29,30)