2-[[1-[2-(4-tert-butylphenyl)sulfanylphenoxy]-3-methyl-butan-2-yl]-ethyl-amino]ethanoic acid

Systemtic Name: 2-[[1-[2-(4-tert-butylphenyl)sulfanylphenoxy]-3-methyl-butan-2-yl]-ethyl-amino]ethanoic acid Openeye Name: 2-[[1-[[2-(4-tert-butylphenyl)sulfanylphenoxy]methyl]-2-methyl-propyl]-ethyl-amino]acetic acid CAS Name: 2-[[1-[2-[(4-tert-butylphenyl)thio]phenoxy]-3-methylbutan-2-yl]-ethylamino]acetic acid IUPAC Name: 2-[[1-[2-(4-tert-butylphenyl)sulfanylphenoxy]-3-methylbutan-2-yl]-ethylamino]acetic acid Traditional Name: 2-[[1-[[2-[(4-tert-butylphenyl)thio]phenoxy]methyl]-2-methyl-propyl]-ethyl-amino]acetic acid Formula: C25H35NO3S MolecularWeight: 429.6153

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)O)C(COC1=CC=CC=C1SC2=CC=C(C=C2)C(C)(C)C)C(C)C

Isomeric SMILES

CCN(CC(=O)O)C(COC1=CC=CC=C1SC2=CC=C(C=C2)C(C)(C)C)C(C)C

InChI

InChI=1S/C25H35NO3S/c1-7-26(16-24(27)28)21(18(2)3)17-29-22-10-8-9-11-23(22)30-20-14-12-19(13-15-20)25(4,5)6/h8-15,18,21H,7,16-17H2,1-6H3,(H,27,28)