ethyl 2-(4-methylsulfanyl-2-nitro-phenyl)sulfinylethanoate

Systemtic Name: ethyl 2-(4-methylsulfanyl-2-nitro-phenyl)sulfinylethanoate Openeye Name: ethyl 2-(4-methylsulfanyl-2-nitro-phenyl)sulfinylacetate CAS Name: 2-[4-(methylthio)-2-nitrophenyl]sulfinylacetic acid ethyl ester IUPAC Name: ethyl 2-(4-methylsulfanyl-2-nitrophenyl)sulfinylacetate Traditional Name: 2-[4-(methylthio)-2-nitro-phenyl]sulfinylacetic acid ethyl ester Formula: C11H13NO5S2 MolecularWeight: 303.35462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CS(=O)C1=C(C=C(C=C1)SC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CS(=O)C1=C(C=C(C=C1)SC)[N+](=O)[O-]

InChI

InChI=1S/C11H13NO5S2/c1-3-17-11(13)7-19(16)10-5-4-8(18-2)6-9(10)12(14)15/h4-6H,3,7H2,1-2H3