sodium 2-[(E)-3-methyl-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]but-2-enyl]sulfanylethanoate

Systemtic Name: sodium 2-[(E)-3-methyl-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]but-2-enyl]sulfanylethanoate Openeye Name: sodium 2-[(E)-3-methyl-4-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]but-2-enyl]sulfanylacetate CAS Name: sodium 2-[[(E)-3-methyl-4-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]but-2-enyl]thio]acetate IUPAC Name: sodium 2-[(E)-3-methyl-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]but-2-enyl]sulfanylacetate Traditional Name: sodium 2-[[(E)-3-methyl-4-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]but-2-enyl]thio]acetate Formula: C19H22NNaO4S MolecularWeight: 383.43705

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CC=C2)CCOC/C(=C/CSCC(=O)[O-])/C.[Na+]

InChI

InChI=1S/C19H23NO4S.Na/c1-14(9-11-25-13-18(21)22)12-23-10-8-17-15(2)24-19(20-17)16-6-4-3-5-7-16;/h3-7,9H,8,10-13H2,1-2H3,(H,21,22);/q;+1/p-1/b14-9+;