N-[1-(furan-2-ylmethylsulfanyl)-2-oxidanylidene-4-phenyl-butyl]ethanamide; 6-oxabicyclo[3.1.1]heptane

Systemtic Name: N-[1-(furan-2-ylmethylsulfanyl)-2-oxidanylidene-4-phenyl-butyl]ethanamide; 6-oxabicyclo[3.1.1]heptane Openeye Name: N-[1-(2-furylmethylsulfanyl)-2-oxo-4-phenyl-butyl]acetamide; 6-oxabicyclo[3.1.1]heptane CAS Name: N-[1-(2-furanylmethylthio)-2-oxo-4-phenylbutyl]acetamide; 6-oxabicyclo[3.1.1]heptane IUPAC Name: N-[1-(furan-2-ylmethylsulfanyl)-2-oxo-4-phenylbutyl]acetamide; 6-oxabicyclo[3.1.1]heptane Traditional Name: N-[1-(2-furfurylthio)-2-keto-4-phenyl-butyl]acetamide; 6-oxabicyclo[3.1.1]heptane Formula: C23H29NO4S MolecularWeight: 415.54566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C(=O)CCC1=CC=CC=C1)SCC2=CC=CO2.C1CC2CC(C1)O2

Isomeric SMILES

CC(=O)NC(C(=O)CCC1=CC=CC=C1)SCC2=CC=CO2.C1CC2CC(C1)O2

InChI

InChI=1S/C17H19NO3S.C6H10O/c1-13(19)18-17(22-12-15-8-5-11-21-15)16(20)10-9-14-6-3-2-4-7-14;1-2-5-4-6(3-1)7-5/h2-8,11,17H,9-10,12H2,1H3,(H,18,19);5-6H,1-4H2