[1-[2-(isocyanatomethylcarbamoyloxy)ethylamino]-1-oxidanylidene-propan-2-yl] ethanedithioate

Systemtic Name: [1-[2-(isocyanatomethylcarbamoyloxy)ethylamino]-1-oxidanylidene-propan-2-yl] ethanedithioate Openeye Name: [2-[2-(isocyanatomethylcarbamoyloxy)ethylamino]-1-methyl-2-oxo-ethyl] ethanedithioate CAS Name: ethanedithioic acid [1-[2-[(isocyanatomethylamino)-oxomethoxy]ethylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[2-(isocyanatomethylcarbamoyloxy)ethylamino]-1-oxopropan-2-yl] ethanedithioate Traditional Name: ethanedithioic acid [2-[2-(isocyanatomethylcarbamoyloxy)ethylamino]-2-keto-1-methyl-ethyl] ester Formula: C10H15N3O4S2 MolecularWeight: 305.3738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCOC(=O)NCN=C=O)SC(=S)C

Isomeric SMILES

CC(C(=O)NCCOC(=O)NCN=C=O)SC(=S)C

InChI

InChI=1S/C10H15N3O4S2/c1-7(19-8(2)18)9(15)12-3-4-17-10(16)13-5-11-6-14/h7H,3-5H2,1-2H3,(H,12,15)(H,13,16)