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

Systemtic Name: [4-[[2-(2-chlorophenyl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]-2-ethoxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[[2-(2-chlorophenyl)-5-oxo-oxazol-4-ylidene]methyl]-2-ethoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[[2-(2-chlorophenyl)-5-oxo-4-oxazolylidene]methyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[[2-(2-chlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-2-ethoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[[2-(2-chlorophenyl)-5-keto-2-oxazolin-4-ylidene]methyl]-2-ethoxy-phenyl] ester Formula: C25H20ClNO6S MolecularWeight: 497.9474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C2C(=O)OC(=N2)C3=CC=CC=C3Cl)OS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C2C(=O)OC(=N2)C3=CC=CC=C3Cl)OS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H20ClNO6S/c1-3-31-23-15-17(10-13-22(23)33-34(29,30)18-11-8-16(2)9-12-18)14-21-25(28)32-24(27-21)19-6-4-5-7-20(19)26/h4-15H,3H2,1-2H3