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

Systemtic Name: ethyl 4-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanyl-1-(1,3-oxazol-4-yl)butyl]-2-methyl-benzenesulfonate Openeye Name: ethyl 4-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanyl-1-oxazol-4-yl-butyl]-2-methyl-benzenesulfonate CAS Name: 4-[2-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]-1-(4-oxazolyl)butyl]-2-methylbenzenesulfonic acid ethyl ester IUPAC Name: ethyl 4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanyl-1-(1,3-oxazol-4-yl)butyl]-2-methylbenzenesulfonate Traditional Name: 4-[2-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]-1-oxazol-4-yl-butyl]-2-methyl-benzenesulfonic acid ethyl ester Formula: C30H41NO5S2 MolecularWeight: 559.78024

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C1=CC(=C(C=C1)S(=O)(=O)OCC)C)C2=COC=N2)SC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCC(C(C1=CC(=C(C=C1)S(=O)(=O)OCC)C)C2=COC=N2)SC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C30H41NO5S2/c1-10-25(37-21-15-22(29(4,5)6)28(32)23(16-21)30(7,8)9)27(24-17-35-18-31-24)20-12-13-26(19(3)14-20)38(33,34)36-11-2/h12-18,25,27,32H,10-11H2,1-9H3