2-[3-[4-(tert-butylcarbamoyl)-2-(tert-butylsulfanylmethyl)phenoxy]-4-methoxy-phenyl]ethanoic acid

Systemtic Name: 2-[3-[4-(tert-butylcarbamoyl)-2-(tert-butylsulfanylmethyl)phenoxy]-4-methoxy-phenyl]ethanoic acid Openeye Name: 2-[3-[4-(tert-butylcarbamoyl)-2-(tert-butylsulfanylmethyl)phenoxy]-4-methoxy-phenyl]acetic acid CAS Name: 2-[3-[4-[(tert-butylamino)-oxomethyl]-2-[(tert-butylthio)methyl]phenoxy]-4-methoxyphenyl]acetic acid IUPAC Name: 2-[3-[4-(tert-butylcarbamoyl)-2-(tert-butylsulfanylmethyl)phenoxy]-4-methoxyphenyl]acetic acid Traditional Name: 2-[3-[4-(tert-butylcarbamoyl)-2-[(tert-butylthio)methyl]phenoxy]-4-methoxy-phenyl]acetic acid Formula: C25H33NO5S MolecularWeight: 459.59822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CC(=C(C=C1)OC2=C(C=CC(=C2)CC(=O)O)OC)CSC(C)(C)C

Isomeric SMILES

CC(C)(C)NC(=O)C1=CC(=C(C=C1)OC2=C(C=CC(=C2)CC(=O)O)OC)CSC(C)(C)C

InChI

InChI=1S/C25H33NO5S/c1-24(2,3)26-23(29)17-9-11-19(18(14-17)15-32-25(4,5)6)31-21-12-16(13-22(27)28)8-10-20(21)30-7/h8-12,14H,13,15H2,1-7H3,(H,26,29)(H,27,28)