1-[4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-3-(phenylcarbonylsulfanyl)butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-3-(phenylcarbonylsulfanyl)butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[3-benzoylsulfanyl-4-(5-chloro-2-thienyl)-4-oxo-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[3-(benzoylthio)-4-(5-chloro-2-thiophenyl)-1,4-dioxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3-benzoylsulfanyl-4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-(benzoylthio)-4-(5-chloro-2-thienyl)-4-keto-butanoyl]proline Formula: C20H18ClNO5S2 MolecularWeight: 451.94362

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CC(C(=O)C2=CC=C(S2)Cl)SC(=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)CC(C(=O)C2=CC=C(S2)Cl)SC(=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H18ClNO5S2/c21-16-9-8-14(28-16)18(24)15(29-20(27)12-5-2-1-3-6-12)11-17(23)22-10-4-7-13(22)19(25)26/h1-3,5-6,8-9,13,15H,4,7,10-11H2,(H,25,26)