5-[6-[5-(3-oxidanylidene-1,2-oxazol-5-yl)-5-phenyl-hexyl]sulfanyl-2-phenyl-hexan-2-yl]-1,2-oxazol-3-one

Systemtic Name: 5-[6-[5-(3-oxidanylidene-1,2-oxazol-5-yl)-5-phenyl-hexyl]sulfanyl-2-phenyl-hexan-2-yl]-1,2-oxazol-3-one Openeye Name: 5-[1-methyl-5-[5-(3-oxoisoxazol-5-yl)-5-phenyl-hexyl]sulfanyl-1-phenyl-pentyl]isoxazol-3-one CAS Name: 5-[6-[[5-(3-oxo-5-isoxazolyl)-5-phenylhexyl]thio]-2-phenylhexan-2-yl]-3-isoxazolone IUPAC Name: 5-[6-[5-(3-oxo-1,2-oxazol-5-yl)-5-phenylhexyl]sulfanyl-2-phenylhexan-2-yl]-1,2-oxazol-3-one Traditional Name: 5-[5-[[5-(3-keto-4-isoxazolin-5-yl)-5-phenyl-hexyl]thio]-1-methyl-1-phenyl-pentyl]-4-isoxazolin-3-one Formula: C30H36N2O4S MolecularWeight: 520.68284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCSCCCCC(C)(C1=CC=CC=C1)C2=CC(=O)NO2)(C3=CC=CC=C3)C4=CC(=O)NO4

Isomeric SMILES

CC(CCCCSCCCCC(C)(C1=CC=CC=C1)C2=CC(=O)NO2)(C3=CC=CC=C3)C4=CC(=O)NO4

InChI

InChI=1S/C30H36N2O4S/c1-29(23-13-5-3-6-14-23,25-21-27(33)31-35-25)17-9-11-19-37-20-12-10-18-30(2,24-15-7-4-8-16-24)26-22-28(34)32-36-26/h3-8,13-16,21-22H,9-12,17-20H2,1-2H3,(H,31,33)(H,32,34)