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

Systemtic Name: 3-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-[2-(methylthio)anilino]-2-oxoethyl]thio]propanoic acid IUPAC Name: 3-[2-(2-methylsulfanylanilino)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-keto-2-[2-(methylthio)anilino]ethyl]thio]propionic acid Formula: C12H15NO3S2 MolecularWeight: 285.3824

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)CSCCC(=O)O

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)CSCCC(=O)O

InChI

InChI=1S/C12H15NO3S2/c1-17-10-5-3-2-4-9(10)13-11(14)8-18-7-6-12(15)16/h2-5H,6-8H2,1H3,(H,13,14)(H,15,16)