sodium 5-[(2-methylsulfanylphenyl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: sodium 5-[(2-methylsulfanylphenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: sodium 5-(2-methylsulfanylanilino)-5-oxo-pentanoate CAS Name: sodium 5-[2-(methylthio)anilino]-5-oxopentanoate IUPAC Name: sodium 5-(2-methylsulfanylanilino)-5-oxopentanoate Traditional Name: sodium 5-keto-5-[2-(methylthio)anilino]valerate Formula: C12H14NNaO3S MolecularWeight: 275.29923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)CCCC(=O)[O-].[Na+]

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)CCCC(=O)[O-].[Na+]

InChI

InChI=1S/C12H15NO3S.Na/c1-17-10-6-3-2-5-9(10)13-11(14)7-4-8-12(15)16;/h2-3,5-6H,4,7-8H2,1H3,(H,13,14)(H,15,16);/q;+1/p-1