4-(4-fluorophenyl)sulfanyl-1-[2-methyl-3-(phenylcarbonylsulfanyl)propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 4-(4-fluorophenyl)sulfanyl-1-[2-methyl-3-(phenylcarbonylsulfanyl)propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-(3-benzoylsulfanyl-2-methyl-propanoyl)-4-(4-fluorophenyl)sulfanyl-pyrrolidine-2-carboxylic acid CAS Name: 1-[3-(benzoylthio)-2-methyl-1-oxopropyl]-4-[(4-fluorophenyl)thio]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(3-benzoylsulfanyl-2-methylpropanoyl)-4-(4-fluorophenyl)sulfanylpyrrolidine-2-carboxylic acid Traditional Name: 1-[3-(benzoylthio)-2-methyl-propanoyl]-4-[(4-fluorophenyl)thio]proline Formula: C22H22FNO4S2 MolecularWeight: 447.542783

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C1=CC=CC=C1)C(=O)N2CC(CC2C(=O)O)SC3=CC=C(C=C3)F

Isomeric SMILES

CC(CSC(=O)C1=CC=CC=C1)C(=O)N2CC(CC2C(=O)O)SC3=CC=C(C=C3)F

InChI

InChI=1S/C22H22FNO4S2/c1-14(13-29-22(28)15-5-3-2-4-6-15)20(25)24-12-18(11-19(24)21(26)27)30-17-9-7-16(23)8-10-17/h2-10,14,18-19H,11-13H2,1H3,(H,26,27)