[4-[cyanomethyl(ethanethioyl)amino]-3-oxidanylidene-1,2-oxazolidin-2-yl] 5-oxidanylideneoxolane-2-carboxylate

Systemtic Name: [4-[cyanomethyl(ethanethioyl)amino]-3-oxidanylidene-1,2-oxazolidin-2-yl] 5-oxidanylideneoxolane-2-carboxylate Openeye Name: [4-[cyanomethyl(ethanethioyl)amino]-3-oxo-isoxazolidin-2-yl] 5-oxotetrahydrofuran-2-carboxylate CAS Name: 5-oxo-2-oxolanecarboxylic acid [4-[cyanomethyl(1-sulfanylideneethyl)amino]-3-oxo-2-isoxazolidinyl] ester IUPAC Name: [4-[cyanomethyl(ethanethioyl)amino]-3-oxo-1,2-oxazolidin-2-yl] 5-oxooxolane-2-carboxylate Traditional Name: 5-ketotetrahydrofuran-2-carboxylic acid [4-[cyanomethyl(thioacetyl)amino]-3-keto-isoxazolidin-2-yl] ester Formula: C12H13N3O6S MolecularWeight: 327.31312

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)N(CC#N)C1CON(C1=O)OC(=O)C2CCC(=O)O2

Isomeric SMILES

CC(=S)N(CC#N)C1CON(C1=O)OC(=O)C2CCC(=O)O2

InChI

InChI=1S/C12H13N3O6S/c1-7(22)14(5-4-13)8-6-19-15(11(8)17)21-12(18)9-2-3-10(16)20-9/h8-9H,2-3,5-6H2,1H3