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

Systemtic Name: [5-(4-methylsulfanylphenyl)-2-(4-nitrophenyl)-4,5-dihydro-1,3-oxazol-4-yl]methyl methanesulfonate Openeye Name: [5-(4-methylsulfanylphenyl)-2-(4-nitrophenyl)-4,5-dihydrooxazol-4-yl]methyl methanesulfonate CAS Name: methanesulfonic acid [5-[4-(methylthio)phenyl]-2-(4-nitrophenyl)-4,5-dihydrooxazol-4-yl]methyl ester IUPAC Name: [5-(4-methylsulfanylphenyl)-2-(4-nitrophenyl)-4,5-dihydro-1,3-oxazol-4-yl]methyl methanesulfonate Traditional Name: methanesulfonic acid [5-[4-(methylthio)phenyl]-2-(4-nitrophenyl)-2-oxazolin-4-yl]methyl ester Formula: C18H18N2O6S2 MolecularWeight: 422.47532

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2C(N=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])COS(=O)(=O)C

Isomeric SMILES

CSC1=CC=C(C=C1)C2C(N=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])COS(=O)(=O)C

InChI

InChI=1S/C18H18N2O6S2/c1-27-15-9-5-12(6-10-15)17-16(11-25-28(2,23)24)19-18(26-17)13-3-7-14(8-4-13)20(21)22/h3-10,16-17H,11H2,1-2H3