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

Systemtic Name: 2-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 2-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 2-[[2-[2-(methylthio)anilino]-2-oxoethyl]thio]propanoic acid IUPAC Name: 2-[2-(2-methylsulfanylanilino)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 2-[[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:

CC(C(=O)O)SCC(=O)NC1=CC=CC=C1SC

Isomeric SMILES

CC(C(=O)O)SCC(=O)NC1=CC=CC=C1SC

InChI

InChI=1S/C12H15NO3S2/c1-8(12(15)16)18-7-11(14)13-9-5-3-4-6-10(9)17-2/h3-6,8H,7H2,1-2H3,(H,13,14)(H,15,16)