diethyl (2E)-2-[(acetamidocarbamothioylamino)methylidene]-3-oxidanylidene-pentanedioate

Systemtic Name: diethyl (2E)-2-[(acetamidocarbamothioylamino)methylidene]-3-oxidanylidene-pentanedioate Openeye Name: diethyl (2E)-2-[(acetamidocarbamothioylamino)methylene]-3-oxo-pentanedioate CAS Name: (2E)-2-[[[(acetylhydrazo)-sulfanylidenemethyl]amino]methylidene]-3-oxopentanedioic acid diethyl ester IUPAC Name: diethyl (2E)-2-[(acetamidocarbamothioylamino)methylidene]-3-oxopentanedioate Traditional Name: (2E)-2-[(acetamidothiocarbamoylamino)methylene]-3-keto-glutaric acid diethyl ester Formula: C13H19N3O6S MolecularWeight: 345.37146

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)C(=CNC(=S)NNC(=O)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)CC(=O)/C(=C\NC(=S)NNC(=O)C)/C(=O)OCC

InChI

InChI=1S/C13H19N3O6S/c1-4-21-11(19)6-10(18)9(12(20)22-5-2)7-14-13(23)16-15-8(3)17/h7H,4-6H2,1-3H3,(H,15,17)(H2,14,16,23)/b9-7+