methyl 2-[(2E)-2-(aminocarbonylhydrazinylidene)-2-(4-methylphenyl)ethyl]sulfonylethanoate

Systemtic Name: methyl 2-[(2E)-2-(aminocarbonylhydrazinylidene)-2-(4-methylphenyl)ethyl]sulfonylethanoate Openeye Name: methyl 2-[(2E)-2-(carbamoylhydrazono)-2-(p-tolyl)ethyl]sulfonylacetate CAS Name: 2-[(2E)-2-(carbamoylhydrazinylidene)-2-(4-methylphenyl)ethyl]sulfonylacetic acid methyl ester IUPAC Name: methyl 2-[(2E)-2-(carbamoylhydrazinylidene)-2-(4-methylphenyl)ethyl]sulfonylacetate Traditional Name: 2-[(2E)-2-(p-tolyl)-2-semicarbazono-ethyl]sulfonylacetic acid methyl ester Formula: C13H17N3O5S MolecularWeight: 327.35618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=NNC(=O)N)CS(=O)(=O)CC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)/C(=N\NC(=O)N)/CS(=O)(=O)CC(=O)OC

InChI

InChI=1S/C13H17N3O5S/c1-9-3-5-10(6-4-9)11(15-16-13(14)18)7-22(19,20)8-12(17)21-2/h3-6H,7-8H2,1-2H3,(H3,14,16,18)/b15-11-