methyl 3-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: methyl 3-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-[2-(methylthio)anilino]-2-oxoethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(2-methylsulfanylanilino)-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-keto-2-[2-(methylthio)anilino]ethyl]thio]propionic acid methyl ester Formula: C13H17NO3S2 MolecularWeight: 299.40898

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCC(=O)NC1=CC=CC=C1SC

Isomeric SMILES

COC(=O)CCSCC(=O)NC1=CC=CC=C1SC

InChI

InChI=1S/C13H17NO3S2/c1-17-13(16)7-8-19-9-12(15)14-10-5-3-4-6-11(10)18-2/h3-6H,7-9H2,1-2H3,(H,14,15)