3-[4-[[2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]carbonyl]phenoxy]-2-methyl-propanoic acid

Systemtic Name: 3-[4-[[2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]carbonyl]phenoxy]-2-methyl-propanoic acid Openeye Name: 3-[4-[2-(4-hydroxyphenyl)benzothiophene-3-carbonyl]phenoxy]-2-methyl-propanoic acid CAS Name: 3-[4-[[2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-oxomethyl]phenoxy]-2-methylpropanoic acid IUPAC Name: 3-[4-[2-(4-hydroxyphenyl)-1-benzothiophene-3-carbonyl]phenoxy]-2-methylpropanoic acid Traditional Name: 3-[4-[2-(4-hydroxyphenyl)benzothiophene-3-carbonyl]phenoxy]-2-methyl-propionic acid Formula: C25H20O5S MolecularWeight: 432.4883

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=CC=C(C=C1)C(=O)C2=C(SC3=CC=CC=C32)C4=CC=C(C=C4)O)C(=O)O

Isomeric SMILES

CC(COC1=CC=C(C=C1)C(=O)C2=C(SC3=CC=CC=C32)C4=CC=C(C=C4)O)C(=O)O

InChI

InChI=1S/C25H20O5S/c1-15(25(28)29)14-30-19-12-8-16(9-13-19)23(27)22-20-4-2-3-5-21(20)31-24(22)17-6-10-18(26)11-7-17/h2-13,15,26H,14H2,1H3,(H,28,29)