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

Systemtic Name: methyl 2-[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylbutylamino]ethanoate Openeye Name: methyl 2-[4-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanylbutylamino]acetate CAS Name: 2-[4-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]butylamino]acetic acid methyl ester IUPAC Name: methyl 2-[4-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylbutylamino]acetate Traditional Name: 2-[4-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]butylamino]acetic acid methyl ester Formula: C21H35NO3S MolecularWeight: 381.5725

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCCCCNCC(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCCCCNCC(=O)OC

InChI

InChI=1S/C21H35NO3S/c1-20(2,3)16-12-15(13-17(19(16)24)21(4,5)6)26-11-9-8-10-22-14-18(23)25-7/h12-13,22,24H,8-11,14H2,1-7H3