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

Systemtic Name: sodium 2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]but-2-ynylsulfanyl]ethanoate Openeye Name: sodium 2-[4-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]but-2-ynylsulfanyl]acetate CAS Name: sodium 2-[4-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]but-2-ynylthio]acetate IUPAC Name: sodium 2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]but-2-ynylsulfanyl]acetate Traditional Name: sodium 2-[4-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]but-2-ynylthio]acetate Formula: C18H18NNaO4S MolecularWeight: 367.39459

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CC=C2)CCOCC#CCSCC(=O)[O-].[Na+]

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CC=C2)CCOCC#CCSCC(=O)[O-].[Na+]

InChI

InChI=1S/C18H19NO4S.Na/c1-14-16(19-18(23-14)15-7-3-2-4-8-15)9-11-22-10-5-6-12-24-13-17(20)21;/h2-4,7-8H,9-13H2,1H3,(H,20,21);/q;+1/p-1