methyl 2-(3-nitropyridin-2-yl)sulfanylethanoate

Systemtic Name: methyl 2-(3-nitropyridin-2-yl)sulfanylethanoate Openeye Name: methyl 2-[(3-nitro-2-pyridyl)sulfanyl]acetate CAS Name: 2-[(3-nitro-2-pyridinyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(3-nitropyridin-2-yl)sulfanylacetate Traditional Name: 2-[(3-nitro-2-pyridyl)thio]acetic acid methyl ester Formula: C8H8N2O4S MolecularWeight: 228.22512

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=C(C=CC=N1)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CSC1=C(C=CC=N1)[N+](=O)[O-]

InChI

InChI=1S/C8H8N2O4S/c1-14-7(11)5-15-8-6(10(12)13)3-2-4-9-8/h2-4H,5H2,1H3