methyl 2-(5-cyano-3-nitro-thiophen-2-yl)sulfanylethanoate

Systemtic Name: methyl 2-(5-cyano-3-nitro-thiophen-2-yl)sulfanylethanoate Openeye Name: methyl 2-[(5-cyano-3-nitro-2-thienyl)sulfanyl]acetate CAS Name: 2-[(5-cyano-3-nitro-2-thiophenyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(5-cyano-3-nitrothiophen-2-yl)sulfanylacetate Traditional Name: 2-[(5-cyano-3-nitro-2-thienyl)thio]acetic acid methyl ester Formula: C8H6N2O4S2 MolecularWeight: 258.27424

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=C(C=C(S1)C#N)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CSC1=C(C=C(S1)C#N)[N+](=O)[O-]

InChI

InChI=1S/C8H6N2O4S2/c1-14-7(11)4-15-8-6(10(12)13)2-5(3-9)16-8/h2H,4H2,1H3