1-[4-(4-bromophenyl)-4-oxidanylidene-3-(phenylcarbonylsulfanyl)butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-(4-bromophenyl)-4-oxidanylidene-3-(phenylcarbonylsulfanyl)butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[3-benzoylsulfanyl-4-(4-bromophenyl)-4-oxo-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[3-(benzoylthio)-4-(4-bromophenyl)-1,4-dioxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3-benzoylsulfanyl-4-(4-bromophenyl)-4-oxobutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-(benzoylthio)-4-(4-bromophenyl)-4-keto-butanoyl]proline Formula: C22H20BrNO5S MolecularWeight: 490.3669

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CC(C(=O)C2=CC=C(C=C2)Br)SC(=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)CC(C(=O)C2=CC=C(C=C2)Br)SC(=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H20BrNO5S/c23-16-10-8-14(9-11-16)20(26)18(30-22(29)15-5-2-1-3-6-15)13-19(25)24-12-4-7-17(24)21(27)28/h1-3,5-6,8-11,17-18H,4,7,12-13H2,(H,27,28)