aminocarbonyl 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoate

Systemtic Name: aminocarbonyl 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoate Openeye Name: carbamoyl 2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetate CAS Name: 2-[(1-oxido-2-pyridin-1-iumyl)thio]acetic acid carbamoyl ester IUPAC Name: carbamoyl 2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetate Traditional Name: 2-[(1-oxidopyridin-1-ium-2-yl)thio]acetic acid carbamoyl ester Formula: C8H8N2O4S MolecularWeight: 228.22512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)SCC(=O)OC(=O)N)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)SCC(=O)OC(=O)N)[O-]

InChI

InChI=1S/C8H8N2O4S/c9-8(12)14-7(11)5-15-6-3-1-2-4-10(6)13/h1-4H,5H2,(H2,9,12)