sodium 2-[(4-chlorophenyl)-(4-sulfanylidenebutan-2-yl)amino]propanoate

Systemtic Name: sodium 2-[(4-chlorophenyl)-(4-sulfanylidenebutan-2-yl)amino]propanoate Openeye Name: sodium 2-(4-chloro-N-(1-methyl-3-thioxo-propyl)anilino)propanoate CAS Name: sodium 2-[4-chloro-N-(4-sulfanylidenebutan-2-yl)anilino]propanoate IUPAC Name: sodium 2-[4-chloro-N-(4-sulfanylidenebutan-2-yl)anilino]propanoate Traditional Name: sodium 2-(4-chloro-N-(1-methyl-3-thioxo-propyl)anilino)propionate Formula: C13H15ClNNaO2S MolecularWeight: 307.77147

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClNO2S.Na/c1-9(7-8-18)15(10(2)13(16)17)12-5-3-11(14)4-6-12;/h3-6,8-10H,7H2,1-2H3,(H,16,17);/q;+1/p-1