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

Systemtic Name: methyl 2-[(2E)-2-(aminocarbonylhydrazinylidene)-2-(4-chlorophenyl)ethyl]sulfonylethanoate Openeye Name: methyl 2-[(2E)-2-(carbamoylhydrazono)-2-(4-chlorophenyl)ethyl]sulfonylacetate CAS Name: 2-[(2E)-2-(carbamoylhydrazinylidene)-2-(4-chlorophenyl)ethyl]sulfonylacetic acid methyl ester IUPAC Name: methyl 2-[(2E)-2-(carbamoylhydrazinylidene)-2-(4-chlorophenyl)ethyl]sulfonylacetate Traditional Name: 2-[(2E)-2-(4-chlorophenyl)-2-semicarbazono-ethyl]sulfonylacetic acid methyl ester Formula: C12H14ClN3O5S MolecularWeight: 347.77466

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CS(=O)(=O)CC(=NNC(=O)N)C1=CC=C(C=C1)Cl

Isomeric SMILES

COC(=O)CS(=O)(=O)C/C(=N/NC(=O)N)/C1=CC=C(C=C1)Cl

InChI

InChI=1S/C12H14ClN3O5S/c1-21-11(17)7-22(19,20)6-10(15-16-12(14)18)8-2-4-9(13)5-3-8/h2-5H,6-7H2,1H3,(H3,14,16,18)/b15-10-