dimethyl 2-[(4-methylsulfanylphenyl)carbonylamino]propanedioate

Systemtic Name: dimethyl 2-[(4-methylsulfanylphenyl)carbonylamino]propanedioate Openeye Name: dimethyl 2-[(4-methylsulfanylbenzoyl)amino]propanedioate CAS Name: 2-[[[4-(methylthio)phenyl]-oxomethyl]amino]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(4-methylsulfanylbenzoyl)amino]propanedioate Traditional Name: 2-[[4-(methylthio)benzoyl]amino]malonic acid dimethyl ester Formula: C13H15NO5S MolecularWeight: 297.3269

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(=O)OC)NC(=O)C1=CC=C(C=C1)SC

Isomeric SMILES

COC(=O)C(C(=O)OC)NC(=O)C1=CC=C(C=C1)SC

InChI

InChI=1S/C13H15NO5S/c1-18-12(16)10(13(17)19-2)14-11(15)8-4-6-9(20-3)7-5-8/h4-7,10H,1-3H3,(H,14,15)