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

Systemtic Name: 2-[[4-chloranyl-3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[4-chloro-3-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]phenyl]methylsulfanyl]acetic acid CAS Name: 2-[[4-chloro-3-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]phenyl]methylthio]acetic acid IUPAC Name: 2-[[4-chloro-3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methylsulfanyl]acetic acid Traditional Name: 2-[[4-chloro-3-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]benzyl]thio]acetic acid Formula: C21H20ClNO4S MolecularWeight: 417.9058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CC=C2)CCOC3=C(C=CC(=C3)CSCC(=O)O)Cl

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CC=C2)CCOC3=C(C=CC(=C3)CSCC(=O)O)Cl

InChI

InChI=1S/C21H20ClNO4S/c1-14-18(23-21(27-14)16-5-3-2-4-6-16)9-10-26-19-11-15(7-8-17(19)22)12-28-13-20(24)25/h2-8,11H,9-10,12-13H2,1H3,(H,24,25)