ethyl 2-[6-(acetyloxymethyl)-4-nitro-pyridin-3-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[6-(acetyloxymethyl)-4-nitro-pyridin-3-yl]sulfanylethanoate Openeye Name: ethyl 2-[[6-(acetoxymethyl)-4-nitro-3-pyridyl]sulfanyl]acetate CAS Name: 2-[[6-(acetyloxymethyl)-4-nitro-3-pyridinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-(acetyloxymethyl)-4-nitropyridin-3-yl]sulfanylacetate Traditional Name: 2-[[6-(acetoxymethyl)-4-nitro-3-pyridyl]thio]acetic acid ethyl ester Formula: C12H14N2O6S MolecularWeight: 314.31436

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=CN=C(C=C1[N+](=O)[O-])COC(=O)C

Isomeric SMILES

CCOC(=O)CSC1=CN=C(C=C1[N+](=O)[O-])COC(=O)C

InChI

InChI=1S/C12H14N2O6S/c1-3-19-12(16)7-21-11-5-13-9(6-20-8(2)15)4-10(11)14(17)18/h4-5H,3,6-7H2,1-2H3