sodium 2-azanyl-2-[3-fluoranyl-5-(4-methylsulfanylphenyl)carbonyl-phenyl]ethanoate

Systemtic Name: sodium 2-azanyl-2-[3-fluoranyl-5-(4-methylsulfanylphenyl)carbonyl-phenyl]ethanoate Openeye Name: sodium 2-amino-2-[3-fluoro-5-(4-methylsulfanylbenzoyl)phenyl]acetate CAS Name: sodium 2-amino-2-[3-fluoro-5-[[4-(methylthio)phenyl]-oxomethyl]phenyl]acetate IUPAC Name: sodium 2-amino-2-[3-fluoro-5-(4-methylsulfanylbenzoyl)phenyl]acetate Traditional Name: sodium 2-amino-2-[3-fluoro-5-[4-(methylthio)benzoyl]phenyl]acetate Formula: C16H13FNNaO3S MolecularWeight: 341.332493

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)C2=CC(=CC(=C2)F)C(C(=O)[O-])N.[Na+]

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)C2=CC(=CC(=C2)F)C(C(=O)[O-])N.[Na+]

InChI

InChI=1S/C16H14FNO3S.Na/c1-22-13-4-2-9(3-5-13)15(19)11-6-10(7-12(17)8-11)14(18)16(20)21;/h2-8,14H,18H2,1H3,(H,20,21);/q;+1/p-1