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

Systemtic Name: sodium 2-[[3-[2-(2-cyclohexyl-5-methyl-1,3-oxazol-4-yl)ethoxy]phenyl]methylsulfanyl]ethanoate Openeye Name: sodium 2-[[3-[2-(2-cyclohexyl-5-methyl-oxazol-4-yl)ethoxy]phenyl]methylsulfanyl]acetate CAS Name: sodium 2-[[3-[2-(2-cyclohexyl-5-methyl-4-oxazolyl)ethoxy]phenyl]methylthio]acetate IUPAC Name: sodium 2-[[3-[2-(2-cyclohexyl-5-methyl-1,3-oxazol-4-yl)ethoxy]phenyl]methylsulfanyl]acetate Traditional Name: sodium 2-[[3-[2-(2-cyclohexyl-5-methyl-oxazol-4-yl)ethoxy]benzyl]thio]acetate Formula: C21H26NNaO4S MolecularWeight: 411.49021

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2CCCCC2)CCOC3=CC=CC(=C3)CSCC(=O)[O-].[Na+]

Isomeric SMILES

CC1=C(N=C(O1)C2CCCCC2)CCOC3=CC=CC(=C3)CSCC(=O)[O-].[Na+]

InChI

InChI=1S/C21H27NO4S.Na/c1-15-19(22-21(26-15)17-7-3-2-4-8-17)10-11-25-18-9-5-6-16(12-18)13-27-14-20(23)24;/h5-6,9,12,17H,2-4,7-8,10-11,13-14H2,1H3,(H,23,24);/q;+1/p-1