ethyl 4-[2-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propylsulfanyl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propylsulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propylsulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propylthio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propylsulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propylthio]acetyl]amino]benzoic acid ethyl ester Formula: C28H39NO4S MolecularWeight: 485.67856

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSCCCC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSCCCC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C28H39NO4S/c1-8-33-26(32)20-11-13-21(14-12-20)29-24(30)18-34-15-9-10-19-16-22(27(2,3)4)25(31)23(17-19)28(5,6)7/h11-14,16-17,31H,8-10,15,18H2,1-7H3,(H,29,30)