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

Systemtic Name: [5-(4-methylsulfanylphenyl)-2-(phenylmethyl)-4,5-dihydro-1,3-oxazol-4-yl]methyl methanesulfonate Openeye Name: [2-benzyl-5-(4-methylsulfanylphenyl)-4,5-dihydrooxazol-4-yl]methyl methanesulfonate CAS Name: methanesulfonic acid [5-[4-(methylthio)phenyl]-2-(phenylmethyl)-4,5-dihydrooxazol-4-yl]methyl ester IUPAC Name: [2-benzyl-5-(4-methylsulfanylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]methyl methanesulfonate Traditional Name: methanesulfonic acid [2-benzyl-5-[4-(methylthio)phenyl]-2-oxazolin-4-yl]methyl ester Formula: C19H21NO4S2 MolecularWeight: 391.50434

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2C(N=C(O2)CC3=CC=CC=C3)COS(=O)(=O)C

Isomeric SMILES

CSC1=CC=C(C=C1)C2C(N=C(O2)CC3=CC=CC=C3)COS(=O)(=O)C

InChI

InChI=1S/C19H21NO4S2/c1-25-16-10-8-15(9-11-16)19-17(13-23-26(2,21)22)20-18(24-19)12-14-6-4-3-5-7-14/h3-11,17,19H,12-13H2,1-2H3