2-cyanoethyl 2-(4-methylsulfonyl-2-nitro-phenyl)sulfanylethanoate

Systemtic Name: 2-cyanoethyl 2-(4-methylsulfonyl-2-nitro-phenyl)sulfanylethanoate Openeye Name: 2-cyanoethyl 2-(4-methylsulfonyl-2-nitro-phenyl)sulfanylacetate CAS Name: 2-[(4-methylsulfonyl-2-nitrophenyl)thio]acetic acid 2-cyanoethyl ester IUPAC Name: 2-cyanoethyl 2-(4-methylsulfonyl-2-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-mesyl-2-nitro-phenyl)thio]acetic acid 2-cyanoethyl ester Formula: C12H12N2O6S2 MolecularWeight: 344.36348

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)SCC(=O)OCCC#N)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)SCC(=O)OCCC#N)[N+](=O)[O-]

InChI

InChI=1S/C12H12N2O6S2/c1-22(18,19)9-3-4-11(10(7-9)14(16)17)21-8-12(15)20-6-2-5-13/h3-4,7H,2,6,8H2,1H3