1-[4-naphthalen-2-yl-4-oxidanylidene-2-(phenylcarbonylsulfanyl)butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-naphthalen-2-yl-4-oxidanylidene-2-(phenylcarbonylsulfanyl)butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-benzoylsulfanyl-4-(2-naphthyl)-4-oxo-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-(benzoylthio)-4-(2-naphthalenyl)-1,4-dioxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(2-benzoylsulfanyl-4-naphthalen-2-yl-4-oxobutanoyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-(benzoylthio)-4-keto-4-(2-naphthyl)butanoyl]proline Formula: C26H23NO5S MolecularWeight: 461.52952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC(=O)C2=CC3=CC=CC=C3C=C2)SC(=O)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C(CC(=O)C2=CC3=CC=CC=C3C=C2)SC(=O)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C26H23NO5S/c28-22(20-13-12-17-7-4-5-10-19(17)15-20)16-23(33-26(32)18-8-2-1-3-9-18)24(29)27-14-6-11-21(27)25(30)31/h1-5,7-10,12-13,15,21,23H,6,11,14,16H2,(H,30,31)