[2-methyl-5-(4-methylsulfanylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]methyl methanesulfonate

Systemtic Name: [2-methyl-5-(4-methylsulfanylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]methyl methanesulfonate Openeye Name: [2-methyl-5-(4-methylsulfanylphenyl)-4,5-dihydrooxazol-4-yl]methyl methanesulfonate CAS Name: methanesulfonic acid [2-methyl-5-[4-(methylthio)phenyl]-4,5-dihydrooxazol-4-yl]methyl ester IUPAC Name: [2-methyl-5-(4-methylsulfanylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]methyl methanesulfonate Traditional Name: methanesulfonic acid [2-methyl-5-[4-(methylthio)phenyl]-2-oxazolin-4-yl]methyl ester Formula: C13H17NO4S2 MolecularWeight: 315.40838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(C(O1)C2=CC=C(C=C2)SC)COS(=O)(=O)C

Isomeric SMILES

CC1=NC(C(O1)C2=CC=C(C=C2)SC)COS(=O)(=O)C

InChI

InChI=1S/C13H17NO4S2/c1-9-14-12(8-17-20(3,15)16)13(18-9)10-4-6-11(19-2)7-5-10/h4-7,12-13H,8H2,1-3H3