dimethyl 2-[(E)-N-(4-methylphenyl)sulfonyl-C-methylsulfanyl-carbonimidoyl]propanedioate

Systemtic Name: dimethyl 2-[(E)-N-(4-methylphenyl)sulfonyl-C-methylsulfanyl-carbonimidoyl]propanedioate Openeye Name: dimethyl 2-[(E)-C-methylsulfanyl-N-(p-tolylsulfonyl)carbonimidoyl]propanedioate CAS Name: 2-[(E)-(4-methylphenyl)sulfonylimino-(methylthio)methyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(E)-N-(4-methylphenyl)sulfonyl-C-methylsulfanylcarbonimidoyl]propanedioate Traditional Name: 2-[(E)-C-(methylthio)-N-tosyl-carbonimidoyl]malonic acid dimethyl ester Formula: C14H17NO6S2 MolecularWeight: 359.41788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=C(C(C(=O)OC)C(=O)OC)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/N=C(\C(C(=O)OC)C(=O)OC)/SC

InChI

InChI=1S/C14H17NO6S2/c1-9-5-7-10(8-6-9)23(18,19)15-12(22-4)11(13(16)20-2)14(17)21-3/h5-8,11H,1-4H3/b15-12+