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

Systemtic Name: sodium 2-[2-azanyl-3-(4-methylsulfanylphenyl)carbonyl-phenyl]ethanoate Openeye Name: sodium 2-[2-amino-3-(4-methylsulfanylbenzoyl)phenyl]acetate CAS Name: sodium 2-[2-amino-3-[[4-(methylthio)phenyl]-oxomethyl]phenyl]acetate IUPAC Name: sodium 2-[2-amino-3-(4-methylsulfanylbenzoyl)phenyl]acetate Traditional Name: sodium 2-[2-amino-3-[4-(methylthio)benzoyl]phenyl]acetate Formula: C16H14NNaO3S MolecularWeight: 323.34203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO3S.Na/c1-21-12-7-5-10(6-8-12)16(20)13-4-2-3-11(15(13)17)9-14(18)19;/h2-8H,9,17H2,1H3,(H,18,19);/q;+1/p-1