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

Systemtic Name: 1-[2-methyl-3-(phenylcarbonylsulfanyl)propanoyl]-4-(4-methylphenyl)sulfanyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-(3-benzoylsulfanyl-2-methyl-propanoyl)-4-(p-tolylsulfanyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[3-(benzoylthio)-2-methyl-1-oxopropyl]-4-[(4-methylphenyl)thio]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(3-benzoylsulfanyl-2-methylpropanoyl)-4-(4-methylphenyl)sulfanylpyrrolidine-2-carboxylic acid Traditional Name: 1-[3-(benzoylthio)-2-methyl-propanoyl]-4-(p-tolylthio)proline Formula: C23H25NO4S2 MolecularWeight: 443.5789

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2CC(N(C2)C(=O)C(C)CSC(=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SC2CC(N(C2)C(=O)C(C)CSC(=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C23H25NO4S2/c1-15-8-10-18(11-9-15)30-19-12-20(22(26)27)24(13-19)21(25)16(2)14-29-23(28)17-6-4-3-5-7-17/h3-11,16,19-20H,12-14H2,1-2H3,(H,26,27)