2-[4-methoxy-3-[4-(phenylcarbonyl)-2-(propan-2-ylsulfanylmethyl)phenoxy]phenyl]ethanoic acid

Systemtic Name: 2-[4-methoxy-3-[4-(phenylcarbonyl)-2-(propan-2-ylsulfanylmethyl)phenoxy]phenyl]ethanoic acid Openeye Name: 2-[3-[4-benzoyl-2-(isopropylsulfanylmethyl)phenoxy]-4-methoxy-phenyl]acetic acid CAS Name: 2-[3-[4-benzoyl-2-[(propan-2-ylthio)methyl]phenoxy]-4-methoxyphenyl]acetic acid IUPAC Name: 2-[3-[4-benzoyl-2-(propan-2-ylsulfanylmethyl)phenoxy]-4-methoxyphenyl]acetic acid Traditional Name: 2-[3-[4-benzoyl-2-[(isopropylthio)methyl]phenoxy]-4-methoxy-phenyl]acetic acid Formula: C26H26O5S MolecularWeight: 450.54664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26O5S/c1-17(2)32-16-21-15-20(26(29)19-7-5-4-6-8-19)10-12-22(21)31-24-13-18(14-25(27)28)9-11-23(24)30-3/h4-13,15,17H,14,16H2,1-3H3,(H,27,28)