ethyl 4-[(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanyl-(1,3-oxazol-4-yl)-phenyl-methyl]-2-methyl-benzenesulfonate

Systemtic Name: ethyl 4-[(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanyl-(1,3-oxazol-4-yl)-phenyl-methyl]-2-methyl-benzenesulfonate Openeye Name: ethyl 4-[(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanyl-oxazol-4-yl-phenyl-methyl]-2-methyl-benzenesulfonate CAS Name: 4-[[(3,5-ditert-butyl-4-hydroxyphenyl)thio]-(4-oxazolyl)-phenylmethyl]-2-methylbenzenesulfonic acid ethyl ester IUPAC Name: ethyl 4-[(3,5-ditert-butyl-4-hydroxyphenyl)sulfanyl-(1,3-oxazol-4-yl)-phenylmethyl]-2-methylbenzenesulfonate Traditional Name: 4-[[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]-oxazol-4-yl-phenyl-methyl]-2-methyl-benzenesulfonic acid ethyl ester Formula: C33H39NO5S2 MolecularWeight: 593.79646

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Descriptors Computed from Structure

Canonical SMILES:

CCOS(=O)(=O)C1=C(C=C(C=C1)C(C2=CC=CC=C2)(C3=COC=N3)SC4=CC(=C(C(=C4)C(C)(C)C)O)C(C)(C)C)C

Isomeric SMILES

CCOS(=O)(=O)C1=C(C=C(C=C1)C(C2=CC=CC=C2)(C3=COC=N3)SC4=CC(=C(C(=C4)C(C)(C)C)O)C(C)(C)C)C

InChI

InChI=1S/C33H39NO5S2/c1-9-39-41(36,37)28-16-15-24(17-22(28)2)33(29-20-38-21-34-29,23-13-11-10-12-14-23)40-25-18-26(31(3,4)5)30(35)27(19-25)32(6,7)8/h10-21,35H,9H2,1-8H3