3-[(2-methylpropan-2-yl)oxycarbonyl]-2-[2-(sulfanylidenecarbamoyl)hydrazinyl]benzoate

Systemtic Name: 3-[(2-methylpropan-2-yl)oxycarbonyl]-2-[2-(sulfanylidenecarbamoyl)hydrazinyl]benzoate Openeye Name: 3-tert-butoxycarbonyl-2-[2-(thioxocarbamoyl)hydrazino]benzoate CAS Name: 3-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-[[oxo(thionitroso)methyl]hydrazo]benzoate IUPAC Name: 3-[(2-methylpropan-2-yl)oxycarbonyl]-2-[2-(sulfanylidenecarbamoyl)hydrazinyl]benzoate Traditional Name: 3-tert-butoxycarbonyl-2-[N'-(thioxocarbamoyl)hydrazino]benzoate Formula: C13H14N3O5S- MolecularWeight: 324.33236

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=CC(=C1NNC(=O)N=S)C(=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=CC(=C1NNC(=O)N=S)C(=O)[O-]

InChI

InChI=1S/C13H15N3O5S/c1-13(2,3)21-11(19)8-6-4-5-7(10(17)18)9(8)14-15-12(20)16-22/h4-6,14H,1-3H3,(H,15,20)(H,17,18)/p-1