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sodium 2-[(3-aminocarbonylphenyl)-(2-ethylsulfanylethyl)amino]propanoate

sodium 2-[(3-aminocarbonylphenyl)-(2-ethylsulfanylethyl)amino]propanoate

Systemtic Name:sodium 2-[(3-aminocarbonylphenyl)-(2-ethylsulfanylethyl)amino]propanoate
Openeye Name:sodium 2-[3-carbamoyl-N-(2-ethylsulfanylethyl)anilino]propanoate
CAS Name:sodium 2-[3-carbamoyl-N-[2-(ethylthio)ethyl]anilino]propanoate
IUPAC Name:sodium 2-[3-carbamoyl-N-(2-ethylsulfanylethyl)anilino]propanoate
Traditional Name:sodium 2-[3-carbamoyl-N-[2-(ethylthio)ethyl]anilino]propionate
Formula: C14H19N2NaO3S
MolecularWeight: 318.36703
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C14H20N2O3S.Na/c1-3-20-8-7-16(10(2)14(18)19)12-6-4-5-11(9-12)13(15)17;/h4-6,9-10H,3,7-8H2,1-2H3,(H2,15,17)(H,18,19);/q;+1/p-1


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