[2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl] 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoate

Systemtic Name: [2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl] 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoate Openeye Name: [2-(ethoxycarbonylamino)-2-oxo-ethyl] 2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetate CAS Name: 2-[(1-oxido-2-pyridin-1-iumyl)thio]acetic acid [2-(ethoxycarbonylamino)-2-oxoethyl] ester IUPAC Name: [2-(ethoxycarbonylamino)-2-oxoethyl] 2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetate Traditional Name: 2-[(1-oxidopyridin-1-ium-2-yl)thio]acetic acid [2-(carbethoxyamino)-2-keto-ethyl] ester Formula: C12H14N2O6S MolecularWeight: 314.31436

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=O)COC(=O)CSC1=CC=CC=[N+]1[O-]

Isomeric SMILES

CCOC(=O)NC(=O)COC(=O)CSC1=CC=CC=[N+]1[O-]

InChI

InChI=1S/C12H14N2O6S/c1-2-19-12(17)13-9(15)7-20-11(16)8-21-10-5-3-4-6-14(10)18/h3-6H,2,7-8H2,1H3,(H,13,15,17)