3-[[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]amino]propanoic acid

Systemtic Name: 3-[[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]amino]propanoic acid Openeye Name: 3-[[2-(2-methylsulfanylanilino)-2-oxo-ethyl]amino]propanoic acid CAS Name: 3-[[2-[2-(methylthio)anilino]-2-oxoethyl]amino]propanoic acid IUPAC Name: 3-[[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanoic acid Traditional Name: 3-[[2-keto-2-[2-(methylthio)anilino]ethyl]amino]propionic acid Formula: C12H16N2O3S MolecularWeight: 268.33204

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)CNCCC(=O)O

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)CNCCC(=O)O

InChI

InChI=1S/C12H16N2O3S/c1-18-10-5-3-2-4-9(10)14-11(15)8-13-7-6-12(16)17/h2-5,13H,6-8H2,1H3,(H,14,15)(H,16,17)