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

Systemtic Name: methyl 4-[2-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propylsulfanyl]ethanoylamino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C27H37NO4S MolecularWeight: 471.65198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCCSCC(=O)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCCSCC(=O)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C27H37NO4S/c1-26(2,3)21-15-18(16-22(24(21)30)27(4,5)6)9-8-14-33-17-23(29)28-20-12-10-19(11-13-20)25(31)32-7/h10-13,15-16,30H,8-9,14,17H2,1-7H3,(H,28,29)