methyl 2-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylpropyl-(phenylmethyl)amino]ethanoate

Systemtic Name: methyl 2-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylpropyl-(phenylmethyl)amino]ethanoate Openeye Name: methyl 2-[benzyl-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanylpropyl]amino]acetate CAS Name: 2-[3-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]propyl-(phenylmethyl)amino]acetic acid methyl ester IUPAC Name: methyl 2-[benzyl-[3-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpropyl]amino]acetate Traditional Name: 2-[benzyl-[3-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]propyl]amino]acetic acid methyl ester Formula: C27H39NO3S MolecularWeight: 457.66846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCCCN(CC2=CC=CC=C2)CC(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCCCN(CC2=CC=CC=C2)CC(=O)OC

InChI

InChI=1S/C27H39NO3S/c1-26(2,3)22-16-21(17-23(25(22)30)27(4,5)6)32-15-11-14-28(19-24(29)31-7)18-20-12-9-8-10-13-20/h8-10,12-13,16-17,30H,11,14-15,18-19H2,1-7H3