2-[2-[2-(4-tert-butylphenyl)sulfanylphenoxy]ethyl-ethyl-amino]ethanoic acid

Systemtic Name: 2-[2-[2-(4-tert-butylphenyl)sulfanylphenoxy]ethyl-ethyl-amino]ethanoic acid Openeye Name: 2-[2-[2-(4-tert-butylphenyl)sulfanylphenoxy]ethyl-ethyl-amino]acetic acid CAS Name: 2-[2-[2-[(4-tert-butylphenyl)thio]phenoxy]ethyl-ethylamino]acetic acid IUPAC Name: 2-[2-[2-(4-tert-butylphenyl)sulfanylphenoxy]ethyl-ethylamino]acetic acid Traditional Name: 2-[2-[2-[(4-tert-butylphenyl)thio]phenoxy]ethyl-ethyl-amino]acetic acid Formula: C22H29NO3S MolecularWeight: 387.53556

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCOC1=CC=CC=C1SC2=CC=C(C=C2)C(C)(C)C)CC(=O)O

Isomeric SMILES

CCN(CCOC1=CC=CC=C1SC2=CC=C(C=C2)C(C)(C)C)CC(=O)O

InChI

InChI=1S/C22H29NO3S/c1-5-23(16-21(24)25)14-15-26-19-8-6-7-9-20(19)27-18-12-10-17(11-13-18)22(2,3)4/h6-13H,5,14-16H2,1-4H3,(H,24,25)