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

Systemtic Name: 2-[3-[4-benzamido-2-(tert-butylsulfanylmethyl)phenoxy]-4-methoxy-phenyl]ethanoic acid Openeye Name: 2-[3-[4-benzamido-2-(tert-butylsulfanylmethyl)phenoxy]-4-methoxy-phenyl]acetic acid CAS Name: 2-[3-[4-benzamido-2-[(tert-butylthio)methyl]phenoxy]-4-methoxyphenyl]acetic acid IUPAC Name: 2-[3-[4-benzamido-2-(tert-butylsulfanylmethyl)phenoxy]-4-methoxyphenyl]acetic acid Traditional Name: 2-[3-[4-benzamido-2-[(tert-butylthio)methyl]phenoxy]-4-methoxy-phenyl]acetic acid Formula: C27H29NO5S MolecularWeight: 479.58786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCC1=C(C=CC(=C1)NC(=O)C2=CC=CC=C2)OC3=C(C=CC(=C3)CC(=O)O)OC

Isomeric SMILES

CC(C)(C)SCC1=C(C=CC(=C1)NC(=O)C2=CC=CC=C2)OC3=C(C=CC(=C3)CC(=O)O)OC

InChI

InChI=1S/C27H29NO5S/c1-27(2,3)34-17-20-16-21(28-26(31)19-8-6-5-7-9-19)11-13-22(20)33-24-14-18(15-25(29)30)10-12-23(24)32-4/h5-14,16H,15,17H2,1-4H3,(H,28,31)(H,29,30)