methyl (2E,3E)-3-(aminocarbonylhydrazinylidene)-2-(phenylsulfonylmethylidene)butanoate

Systemtic Name: methyl (2E,3E)-3-(aminocarbonylhydrazinylidene)-2-(phenylsulfonylmethylidene)butanoate Openeye Name: methyl (2E,3E)-2-(benzenesulfonylmethylene)-3-(carbamoylhydrazono)butanoate CAS Name: (2E,3E)-2-(benzenesulfonylmethylidene)-3-(carbamoylhydrazinylidene)butanoic acid methyl ester IUPAC Name: methyl (2E,3E)-2-(benzenesulfonylmethylidene)-3-(carbamoylhydrazinylidene)butanoate Traditional Name: (E)-3-besyl-2-[(E)-C-methyl-N-ureido-carbonimidoyl]acrylic acid methyl ester Formula: C13H15N3O5S MolecularWeight: 325.3403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O5S/c1-9(15-16-13(14)18)11(12(17)21-2)8-22(19,20)10-6-4-3-5-7-10/h3-8H,1-2H3,(H3,14,16,18)/b11-8+,15-9+