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sodium 2-[2-ethylsulfanylethyl-(4-methylphenyl)amino]ethanoic acid

sodium 2-[2-ethylsulfanylethyl-(4-methylphenyl)amino]ethanoic acid

Systemtic Name:sodium 2-[2-ethylsulfanylethyl-(4-methylphenyl)amino]ethanoic acid
Openeye Name:sodium 2-[N-(2-ethylsulfanylethyl)-4-methyl-anilino]acetic acid
CAS Name:sodium 2-[N-[2-(ethylthio)ethyl]-4-methylanilino]acetic acid
IUPAC Name:sodium 2-[N-(2-ethylsulfanylethyl)-4-methylanilino]acetic acid
Traditional Name:sodium 2-[N-[2-(ethylthio)ethyl]-4-methyl-anilino]acetic acid
Formula: C13H19NNaO2S+
MolecularWeight: 276.35023
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Descriptors Computed from Structure

Canonical SMILES:

CCSCCN(CC(=O)O)C1=CC=C(C=C1)C.[Na+]


Isomeric SMILES

CCSCCN(CC(=O)O)C1=CC=C(C=C1)C.[Na+]


InChI

InChI=1S/C13H19NO2S.Na/c1-3-17-9-8-14(10-13(15)16)12-6-4-11(2)5-7-12;/h4-7H,3,8-10H2,1-2H3,(H,15,16);/q;+1


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