3-(4-methoxyphenyl)-2-methyl-4-oxidanyl-2-phenoxy-3-thiophen-2-yl-butanoic acid

Systemtic Name: 3-(4-methoxyphenyl)-2-methyl-4-oxidanyl-2-phenoxy-3-thiophen-2-yl-butanoic acid Openeye Name: 4-hydroxy-3-(4-methoxyphenyl)-2-methyl-2-phenoxy-3-(2-thienyl)butanoic acid CAS Name: 4-hydroxy-3-(4-methoxyphenyl)-2-methyl-2-phenoxy-3-thiophen-2-ylbutanoic acid IUPAC Name: 4-hydroxy-3-(4-methoxyphenyl)-2-methyl-2-phenoxy-3-thiophen-2-ylbutanoic acid Traditional Name: 4-hydroxy-3-(4-methoxyphenyl)-2-methyl-2-phenoxy-3-(2-thienyl)butyric acid Formula: C22H22O5S MolecularWeight: 398.47208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)(C(CO)(C1=CC=C(C=C1)OC)C2=CC=CS2)OC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)O)(C(CO)(C1=CC=C(C=C1)OC)C2=CC=CS2)OC3=CC=CC=C3

InChI

InChI=1S/C22H22O5S/c1-21(20(24)25,27-18-7-4-3-5-8-18)22(15-23,19-9-6-14-28-19)16-10-12-17(26-2)13-11-16/h3-14,23H,15H2,1-2H3,(H,24,25)