sodium 2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methylsulfanyl]propanoate

Systemtic Name: sodium 2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methylsulfanyl]propanoate Openeye Name: sodium 2-[[3-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]phenyl]methylsulfanyl]propanoate CAS Name: sodium 2-[[3-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]phenyl]methylthio]propanoate IUPAC Name: sodium 2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methylsulfanyl]propanoate Traditional Name: sodium 2-[[3-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]benzyl]thio]propionate Formula: C22H22NNaO4S MolecularWeight: 419.46915

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CC=C2)CCOC3=CC=CC(=C3)CSC(C)C(=O)[O-].[Na+]

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CC=C2)CCOC3=CC=CC(=C3)CSC(C)C(=O)[O-].[Na+]

InChI

InChI=1S/C22H23NO4S.Na/c1-15-20(23-21(27-15)18-8-4-3-5-9-18)11-12-26-19-10-6-7-17(13-19)14-28-16(2)22(24)25;/h3-10,13,16H,11-12,14H2,1-2H3,(H,24,25);/q;+1/p-1