1-[4-(4-chlorophenyl)-2-ethanoylsulfanyl-2-methyl-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-(4-chlorophenyl)-2-ethanoylsulfanyl-2-methyl-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-acetylsulfanyl-4-(4-chlorophenyl)-2-methyl-4-oxo-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-(acetylthio)-4-(4-chlorophenyl)-2-methyl-1,4-dioxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-acetylsulfanyl-4-(4-chlorophenyl)-2-methyl-4-oxobutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-(acetylthio)-4-(4-chlorophenyl)-4-keto-2-methyl-butanoyl]proline Formula: C18H20ClNO5S MolecularWeight: 397.8731

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClNO5S/c1-11(21)26-18(2,10-15(22)12-5-7-13(19)8-6-12)17(25)20-9-3-4-14(20)16(23)24/h5-8,14H,3-4,9-10H2,1-2H3,(H,23,24)