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

Systemtic Name: ethyl 4-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanyl-1-(1,3-oxazol-4-yl)propyl]-2-methyl-benzenesulfonate Openeye Name: ethyl 4-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanyl-1-oxazol-4-yl-propyl]-2-methyl-benzenesulfonate CAS Name: 4-[2-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]-1-(4-oxazolyl)propyl]-2-methylbenzenesulfonic acid ethyl ester IUPAC Name: ethyl 4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanyl-1-(1,3-oxazol-4-yl)propyl]-2-methylbenzenesulfonate Traditional Name: 4-[2-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]-1-oxazol-4-yl-propyl]-2-methyl-benzenesulfonic acid ethyl ester Formula: C29H39NO5S2 MolecularWeight: 545.75366

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Descriptors Computed from Structure

Canonical SMILES:

CCOS(=O)(=O)C1=C(C=C(C=C1)C(C2=COC=N2)C(C)SC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)C

Isomeric SMILES

CCOS(=O)(=O)C1=C(C=C(C=C1)C(C2=COC=N2)C(C)SC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)C

InChI

InChI=1S/C29H39NO5S2/c1-10-35-37(32,33)25-12-11-20(13-18(25)2)26(24-16-34-17-30-24)19(3)36-21-14-22(28(4,5)6)27(31)23(15-21)29(7,8)9/h11-17,19,26,31H,10H2,1-9H3