[4-[[2-(4-fluorophenyl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[[2-(4-fluorophenyl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[[2-(4-fluorophenyl)-5-oxo-oxazol-4-ylidene]methyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[[2-(4-fluorophenyl)-5-oxo-4-oxazolylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[[2-(4-fluorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-2-methoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[[2-(4-fluorophenyl)-5-keto-2-oxazolin-4-ylidene]methyl]-2-methoxy-phenyl] ester Formula: C24H18FNO6S MolecularWeight: 467.466223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=C3C(=O)OC(=N3)C4=CC=C(C=C4)F)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=C3C(=O)OC(=N3)C4=CC=C(C=C4)F)OC

InChI

InChI=1S/C24H18FNO6S/c1-15-3-10-19(11-4-15)33(28,29)32-21-12-5-16(14-22(21)30-2)13-20-24(27)31-23(26-20)17-6-8-18(25)9-7-17/h3-14H,1-2H3