ethyl 2-(2,6-dimethoxy-3-nitro-phenyl)carbonylsulfanylethanoate

Systemtic Name: ethyl 2-(2,6-dimethoxy-3-nitro-phenyl)carbonylsulfanylethanoate Openeye Name: ethyl 2-(2,6-dimethoxy-3-nitro-benzoyl)sulfanylacetate CAS Name: 2-[[(2,6-dimethoxy-3-nitrophenyl)-oxomethyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(2,6-dimethoxy-3-nitrobenzoyl)sulfanylacetate Traditional Name: 2-[(2,6-dimethoxy-3-nitro-benzoyl)thio]acetic acid ethyl ester Formula: C13H15NO7S MolecularWeight: 329.3257

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC(=O)C1=C(C=CC(=C1OC)[N+](=O)[O-])OC

Isomeric SMILES

CCOC(=O)CSC(=O)C1=C(C=CC(=C1OC)[N+](=O)[O-])OC

InChI

InChI=1S/C13H15NO7S/c1-4-21-10(15)7-22-13(16)11-9(19-2)6-5-8(14(17)18)12(11)20-3/h5-6H,4,7H2,1-3H3