4-(2-methylphenyl)-4-[2-methylsulfinyl-5-(thiophen-3-ylmethoxy)phenoxy]butanoic acid

Systemtic Name: 4-(2-methylphenyl)-4-[2-methylsulfinyl-5-(thiophen-3-ylmethoxy)phenoxy]butanoic acid Openeye Name: 4-[2-methylsulfinyl-5-(3-thienylmethoxy)phenoxy]-4-(o-tolyl)butanoic acid CAS Name: 4-(2-methylphenyl)-4-[2-methylsulfinyl-5-(3-thiophenylmethoxy)phenoxy]butanoic acid IUPAC Name: 4-(2-methylphenyl)-4-[2-methylsulfinyl-5-(thiophen-3-ylmethoxy)phenoxy]butanoic acid Traditional Name: 4-[2-methylsulfinyl-5-(3-thenyloxy)phenoxy]-4-(o-tolyl)butyric acid Formula: C23H24O5S2 MolecularWeight: 444.56366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CCC(=O)O)OC2=C(C=CC(=C2)OCC3=CSC=C3)S(=O)C

Isomeric SMILES

CC1=CC=CC=C1C(CCC(=O)O)OC2=C(C=CC(=C2)OCC3=CSC=C3)S(=O)C

InChI

InChI=1S/C23H24O5S2/c1-16-5-3-4-6-19(16)20(8-10-23(24)25)28-21-13-18(7-9-22(21)30(2)26)27-14-17-11-12-29-15-17/h3-7,9,11-13,15,20H,8,10,14H2,1-2H3,(H,24,25)