1-[4-(4-tert-butylphenyl)-3-ethanoylsulfanyl-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-(4-tert-butylphenyl)-3-ethanoylsulfanyl-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[3-acetylsulfanyl-4-(4-tert-butylphenyl)-4-oxo-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[3-(acetylthio)-4-(4-tert-butylphenyl)-1,4-dioxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3-acetylsulfanyl-4-(4-tert-butylphenyl)-4-oxobutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-(acetylthio)-4-(4-tert-butylphenyl)-4-keto-butanoyl]proline Formula: C21H27NO5S MolecularWeight: 405.50778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO5S/c1-13(23)28-17(12-18(24)22-11-5-6-16(22)20(26)27)19(25)14-7-9-15(10-8-14)21(2,3)4/h7-10,16-17H,5-6,11-12H2,1-4H3,(H,26,27)