3-[4-[3-(4-ethyl-2-thiophen-2-ylcarbonyl-phenoxy)butoxy]-2-methyl-phenyl]propanoic acid

Systemtic Name: 3-[4-[3-(4-ethyl-2-thiophen-2-ylcarbonyl-phenoxy)butoxy]-2-methyl-phenyl]propanoic acid Openeye Name: 3-[4-[3-[4-ethyl-2-(thiophene-2-carbonyl)phenoxy]butoxy]-2-methyl-phenyl]propanoic acid CAS Name: 3-[4-[3-[4-ethyl-2-[oxo(thiophen-2-yl)methyl]phenoxy]butoxy]-2-methylphenyl]propanoic acid IUPAC Name: 3-[4-[3-[4-ethyl-2-(thiophene-2-carbonyl)phenoxy]butoxy]-2-methylphenyl]propanoic acid Traditional Name: 3-[4-[3-[4-ethyl-2-(2-thenoyl)phenoxy]butoxy]-2-methyl-phenyl]propionic acid Formula: C27H30O5S MolecularWeight: 466.5891

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OC(C)CCOC2=CC(=C(C=C2)CCC(=O)O)C)C(=O)C3=CC=CS3

Isomeric SMILES

CCC1=CC(=C(C=C1)OC(C)CCOC2=CC(=C(C=C2)CCC(=O)O)C)C(=O)C3=CC=CS3

InChI

InChI=1S/C27H30O5S/c1-4-20-7-11-24(23(17-20)27(30)25-6-5-15-33-25)32-19(3)13-14-31-22-10-8-21(18(2)16-22)9-12-26(28)29/h5-8,10-11,15-17,19H,4,9,12-14H2,1-3H3,(H,28,29)