2-[[3-[2-[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]methylsulfanyl]ethanoic acid

Systemtic Name: 2-[[3-[2-[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[3-[2-[2-(4-ethylphenyl)-5-methyl-oxazol-4-yl]ethoxy]phenyl]methylsulfanyl]acetic acid CAS Name: 2-[[3-[2-[2-(4-ethylphenyl)-5-methyl-4-oxazolyl]ethoxy]phenyl]methylthio]acetic acid IUPAC Name: 2-[[3-[2-[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]methylsulfanyl]acetic acid Traditional Name: 2-[[3-[2-[2-(4-ethylphenyl)-5-methyl-oxazol-4-yl]ethoxy]benzyl]thio]acetic acid Formula: C23H25NO4S MolecularWeight: 411.5139

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=C(O2)C)CCOC3=CC=CC(=C3)CSCC(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=C(O2)C)CCOC3=CC=CC(=C3)CSCC(=O)O

InChI

InChI=1S/C23H25NO4S/c1-3-17-7-9-19(10-8-17)23-24-21(16(2)28-23)11-12-27-20-6-4-5-18(13-20)14-29-15-22(25)26/h4-10,13H,3,11-12,14-15H2,1-2H3,(H,25,26)