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

Systemtic Name: 2-[2-[2-(4-tert-butylphenyl)sulfanylphenoxy]ethyl-propan-2-yl-amino]ethanoic acid Openeye Name: 2-[2-[2-(4-tert-butylphenyl)sulfanylphenoxy]ethyl-isopropyl-amino]acetic acid CAS Name: 2-[2-[2-[(4-tert-butylphenyl)thio]phenoxy]ethyl-propan-2-ylamino]acetic acid IUPAC Name: 2-[2-[2-(4-tert-butylphenyl)sulfanylphenoxy]ethyl-propan-2-ylamino]acetic acid Traditional Name: 2-[2-[2-[(4-tert-butylphenyl)thio]phenoxy]ethyl-isopropyl-amino]acetic acid Formula: C23H31NO3S MolecularWeight: 401.56214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31NO3S/c1-17(2)24(16-22(25)26)14-15-27-20-8-6-7-9-21(20)28-19-12-10-18(11-13-19)23(3,4)5/h6-13,17H,14-16H2,1-5H3,(H,25,26)