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

Systemtic Name: 1-[4-(3,4-dichlorophenyl)-3-ethanoylsulfanyl-2-methyl-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[3-acetylsulfanyl-4-(3,4-dichlorophenyl)-2-methyl-4-oxo-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[3-(acetylthio)-4-(3,4-dichlorophenyl)-2-methyl-1,4-dioxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3-acetylsulfanyl-4-(3,4-dichlorophenyl)-2-methyl-4-oxobutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-(acetylthio)-4-(3,4-dichlorophenyl)-4-keto-2-methyl-butanoyl]proline Formula: C18H19Cl2NO5S MolecularWeight: 432.31816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)C1=CC(=C(C=C1)Cl)Cl)SC(=O)C)C(=O)N2CCCC2C(=O)O

Isomeric SMILES

CC(C(C(=O)C1=CC(=C(C=C1)Cl)Cl)SC(=O)C)C(=O)N2CCCC2C(=O)O

InChI

InChI=1S/C18H19Cl2NO5S/c1-9(17(24)21-7-3-4-14(21)18(25)26)16(27-10(2)22)15(23)11-5-6-12(19)13(20)8-11/h5-6,8-9,14,16H,3-4,7H2,1-2H3,(H,25,26)