1-[4-(3,4-dichlorophenyl)-3-ethanoylsulfanyl-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-(3,4-dichlorophenyl)-3-ethanoylsulfanyl-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[3-acetylsulfanyl-4-(3,4-dichlorophenyl)-4-oxo-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[3-(acetylthio)-4-(3,4-dichlorophenyl)-1,4-dioxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3-acetylsulfanyl-4-(3,4-dichlorophenyl)-4-oxobutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-(acetylthio)-4-(3,4-dichlorophenyl)-4-keto-butanoyl]proline Formula: C17H17Cl2NO5S MolecularWeight: 418.29158

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC(=O)N1CCCC1C(=O)O)C(=O)C2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

CC(=O)SC(CC(=O)N1CCCC1C(=O)O)C(=O)C2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C17H17Cl2NO5S/c1-9(21)26-14(16(23)10-4-5-11(18)12(19)7-10)8-15(22)20-6-2-3-13(20)17(24)25/h4-5,7,13-14H,2-3,6,8H2,1H3,(H,24,25)