1-[3-[2-[3-(phenylcarbonyl)phenyl]propanoyloxy]propylsulfanylcarbothioyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[3-[2-[3-(phenylcarbonyl)phenyl]propanoyloxy]propylsulfanylcarbothioyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[3-[2-(3-benzoylphenyl)propanoyloxy]propylsulfanylcarbothioyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[3-[2-(3-benzoylphenyl)-1-oxopropoxy]propylthio]-sulfanylidenemethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3-[2-(3-benzoylphenyl)propanoyloxy]propylsulfanylcarbothioyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-[2-(3-benzoylphenyl)propanoyloxy]propylthio]carbothioylproline Formula: C25H27NO5S2 MolecularWeight: 485.61558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC(=C1)C(=O)C2=CC=CC=C2)C(=O)OCCCSC(=S)N3CCCC3C(=O)O

Isomeric SMILES

CC(C1=CC=CC(=C1)C(=O)C2=CC=CC=C2)C(=O)OCCCSC(=S)N3CCCC3C(=O)O

InChI

InChI=1S/C25H27NO5S2/c1-17(19-10-5-11-20(16-19)22(27)18-8-3-2-4-9-18)24(30)31-14-7-15-33-25(32)26-13-6-12-21(26)23(28)29/h2-5,8-11,16-17,21H,6-7,12-15H2,1H3,(H,28,29)