5-[4-[1-(3-propan-2-yloxyphenyl)ethylsulfanylmethyl]phenyl]-1,2-oxazol-3-one

Systemtic Name: 5-[4-[1-(3-propan-2-yloxyphenyl)ethylsulfanylmethyl]phenyl]-1,2-oxazol-3-one Openeye Name: 5-[4-[1-(3-isopropoxyphenyl)ethylsulfanylmethyl]phenyl]isoxazol-3-one CAS Name: 5-[4-[[1-(3-propan-2-yloxyphenyl)ethylthio]methyl]phenyl]-3-isoxazolone IUPAC Name: 5-[4-[1-(3-propan-2-yloxyphenyl)ethylsulfanylmethyl]phenyl]-1,2-oxazol-3-one Traditional Name: 5-[4-[[1-(3-isopropoxyphenyl)ethylthio]methyl]phenyl]-4-isoxazolin-3-one Formula: C21H23NO3S MolecularWeight: 369.47722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(C)SCC2=CC=C(C=C2)C3=CC(=O)NO3

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(C)SCC2=CC=C(C=C2)C3=CC(=O)NO3

InChI

InChI=1S/C21H23NO3S/c1-14(2)24-19-6-4-5-18(11-19)15(3)26-13-16-7-9-17(10-8-16)20-12-21(23)22-25-20/h4-12,14-15H,13H2,1-3H3,(H,22,23)